Carl Henrik Gørbitz

• Litterst, Maximilian; Jannasch, Ramon; Balagopalan, Manjunath; Görbitz, Carl Henrik; Nilsen, Ola & Berland, Kristian [Vis alle 7 forfattere av denne artikkelen] (2026). Humidity-Tunable Organic Ferroelectric with Low Coercive Field. ACS Materials Letters. 8(7), s. 1982–1989. doi: 10.1021/acsmaterialslett.6c00243. Fulltekst i vitenarkiv Vis sammendrag

  As compared to their inorganic counterparts, organic ferroelectrics offer vast design freedom, enabling the creation of materials with unprecedented properties. Here, we present temperature- and humidity-dependent ferroelectric switching measurements on thin polycrystalline films of an organic ionic cocrystal that was identified by database mining as potentially ferroelectric. The experiments reveal exceptionally low coercive fields, down to ∼0.2 V/μm, depending on conditions, while maintaining reasonable remnant polarizations around 15 μC/cm2. We observe a pronounced dependence of the ferroelectric properties on switching frequency, temperature and, strikingly, ambient humidity. Interestingly, the ferroelectric behavior appears to be coupled to the complex electrical conductivity. We interpret our findings in terms of a multi-step polarization reversal mechanism, involving a combination of proton transfer and molecular rotations, where the former is thought to also be responsible for the observed long-range charge transport. These properties may find applications in new classes of tunable or environment-responsive ‘smart’ materials.

• Litterst, Maximilian; Balagopalan, Manjunath; Jannasch, Ramon; Sødahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba & Gørbitz, Carl Henrik [Vis alle 9 forfattere av denne artikkelen] (2026). Experimentally confirmed ferroelectricity in organic compounds identified by database mining. Physical Chemistry, Chemical Physics - PCCP. ISSN 1463-9076. 28, s. 4636–4647. doi: 10.1039/d5cp03009a. Fulltekst i vitenarkiv Vis sammendrag

  Compared to inorganic ferroelectrics, the breadth of polarization switching mechanisms in organic ferroelectrics is very broad and far from fully characterized or understood. Here, we experimentally investigate the absence or presence of ferroelectric properties in a selection of organic materials that have been identified by a data mining approach using heuristic measures to identify stretchability, aiming to assess the practical potential of this approach. From a set of 66 candidate materials, 4 were selected for detailed analysis. These were investigated structurally using powder X-ray diffraction and electrically, using capacitance–voltage spectroscopy and polarization hysteresis measurements. Despite large differences in stability and background conductivity, all compounds exhibited ferroelectric behavior at room temperature, with relatively large polarization values. Specifically, the ferroelectric properties of one material show a strong dependency on the ambient humidity, whereas another showed a strong coupling between background conductivity and ferroelectric switching. These effects are not yet fully understood and lie beyond the scope of this study. Of the remaining two compounds, one was found to be unstable at room temperature whereas the other displayed multiple polymorphs, complicating reproducibility and limiting their practical potential. Overall, these results confirm the relevance of the data mining prediction scheme and suggest that a significant fraction of the identified but so far untested materials may also be ferroelectric.

• Mandal, Arkalekha; Mohn, Chris Erik; Görbitz, Carl Henrik & Roy, Anurag (2026). Cocrystal Engineering of Organic Semiconductors for Photovoltaic Applications: Modeling Excited-State Properties of a Charge Transfer Cocrystal of a Dicarbazole Donor and a Fluoranil Acceptor. Journal of Physical Chemistry C. ISSN 1932-7447. 130(2), s. 897–897. doi: 10.1021/acs.jpcc.5c06828. Fulltekst i vitenarkiv Vis sammendrag

  With the recent advancements in lightweight, flexible, and environmentally benign organic supramolecular aggregates for various optoelectronic applications, cocrystals of aromatic π-donors and π-acceptors have emerged as promising n-type semiconductors and near-infrared absorbers for enhanced photovoltaic properties. Herein, we demonstrate the electron-dominant charge transport and wide absorption spanning from ultraviolet (UV) to NIR-I region (375–800 nm) of a cocrystal with π-donor 4,4′-bis(carbazol-9-yl)biphenyl (CBP) and π-acceptor 1,4-tetrafluoro-p-benzoquinone (fluoranil) as the components. The crystal packing in CBP:(fluoranil)2 is characterized by mixed stacks of alternative CBP and fluoranil molecules tethered by strong face-to-face π···π stacking interactions. The electron-dominant charge transport in the CBP:(fluoranil)2 cocrystal is governed by the “superexchange” hopping mechanism along the D–A mixed π-stack and is dominated by factors like the energy and symmetry of the frontier molecular orbitals of the CBP and fluoranil moieties. The narrow bandgap (≈1.2 eV) and the high value of the superexchange electron transfer integral (≈100 meV) confirm the potential application of this cocrystal as the active layer material in n-type organic field effect transistors (OFETs). In addition, the strong absorption spanning from the UV to near-infrared region, narrow and direct bandgap, and low exciton binding energy indicate that the CBP:(fluoranil)2 cocrystal can also be exploited for photovoltaic applications. The electron–hole distribution offset, exciton size, and one-electron transition density matrix analyses confirm facile charge transfer exciton generation and dissociation leading to free charge carriers. The calculated value of spectroscopy-limited maximum efficiency (SLME) from periodic density functional theory (DFT) calculations for this cocrystal shows that it can reach a photoconversion efficiency (PCE) of 31%, implying its potential applicability as a practical photovoltaic material.

• Mandal, Arkalekha; Mohn, Chris Erik; Görbitz, Carl Henrik; Rogowska, Melania & Nilsen, Ola (2025). Elucidating the role of charge transfer on semiconductor properties in a new donor–acceptor cocrystal 1,5-dihydroxynaphthalene : TCNQ. Molecular Systems Design & Engineering. 10(7), s. 519–533. doi: 10.1039/d5me00033e. Fulltekst i vitenarkiv Vis sammendrag

  In this work, we have investigated the semiconducting properties of an unprecedented 1 : 1 π-stacked donor–acceptor cocrystal of 1,5-dihydroxynaphthalene (DHN) as the π-donor (D) with 7,7′,8,8′-tetracyanoquinodimethane (TCNQ) as the π-acceptor (A). Molecular semiconductors with electron dominant transport, narrow bandgap, solution processing ability, air-stability are highly sought-after for application in n-channel organic field effect transistors. The DHN : TCNQ cocrystal shows n-type semiconductor nature with a narrow bandgap of around 1 eV, and a low LUMO energy level (−3.8 eV) making it less prone to areal degradation. The electron dominant transport in this cocrystal is described by assuming that electron and hole hop via a super-exchange mechanism along the mixed ⋯D–A⋯ π-stack direction. The participation of bridging molecular orbitals other than donor HOMO make a significant contribution to the super-exchange electron transfer, thus resulting in electron hopping from acceptor to acceptor which is four times larger than the value of hole hopping from donor to donor. Detailed analysis of crystal packing and electronic properties demonstrate that the super-exchange charge carrier transport is facilitated by strong π⋯π stacking interaction between the donor and acceptor, and prominent charge transfer.

• Gomes, Etelvina De Matos; Baptista, Rosa M.F. & Görbitz, Carl Henrik (2024). Crystal structure of di-glycylglycinium squarate dihydrate, C<inf>12</inf>H<inf>22</inf>N<inf>4</inf>O<inf>12</inf>, at 105 K. Zeitschrift für Kristallographie. New crystal structures. ISSN 1433-7266. doi: 10.1515/ncrs-2024-0416. Fulltekst i vitenarkiv Vis sammendrag

  C12H22N4O12, triclinic, P¯1 (no. 2), a = 6.7126(4) Å, b = 7.7536(5) Å, c = 8.5279(5) Å, α = 89.4803(14)°, β = 86.2595(14)°, γ = 79.4035(14)°, V = 435.35(5) Å3, Z = 2, R gt (F) = 0.0323, wR ref (F 2) = 0.0908, T = 105(2) K.

• Seyedraoufi, Seyedmojtaba; Sødahl, Elin Dypvik; Görbitz, Carl Henrik & Berland, Kristian (2024). Database mining and first-principles assessment of organic proton-transfer ferroelectrics. PHYSICAL REVIEW MATERIALS. 8(5). doi: 10.1103/PhysRevMaterials.8.054413. Fulltekst i vitenarkiv
• Sødahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba; Gørbitz, Carl Henrik & Berland, Kristian (2023). Ferroelectric Crystals of Globular Molecules: Cambridge Structural Database Mining and Computational Assessment. Crystal Growth & Design. ISSN 1528-7483. 23(12), s. 8607–8619. doi: 10.1021/acs.cgd.3c00713. Fulltekst i vitenarkiv Vis sammendrag

  Hybrid or organic molecular ferroelectrics hold the potential to serve as lead-free alternatives to conventional inorganic ferroelectrics. In particular, the variants composed of globular, often cage-like molecules can host attractive properties such as multiaxial ferroelectricity, Curie temperatures above room temperature, and orientationally disordered plastic mesophases, in addition to supporting low-temperature synthesis. Here, we present the results of a screening study of the Cambridge Structural Database (CSD) leading to the discovery of 54 candidate ferroelectrics, including molecular crystals and molecular salts, many of which are likely to host plastic mesophases, along with 16 previously reported ferroelectrics. With over 1.2 million entries in the CSD, the screening procedure involved many steps, including considerations of molecular geometry and size, space group, and hydrogen bonding pattern. Out of the candidate systems, many of them were identified to be likely to also host plastic mesophases due to their resemblance to highly symmetric close-packed crystal structures. The spontaneous polarization and electronic band gaps were predicted by using density functional theory. Among the candidate ferroelectrics, 17 exhibited a spontaneous polarization greater than 10 μC/cm2, with five of them being reported at room temperature.

• Zawadzka, Malgorzata Elzbieta; Racz, Beatrix; Ambrosini, Dario; Görbitz, Carl Henrik; Morth, Jens Preben & Wilkins, Alistair L. [Vis alle 12 forfattere av denne artikkelen] (2021). Searching for a UV-filter in the eyes of high-flying birds. Scientific Reports. 11(1). doi: 10.1038/s41598-020-79533-2. Fulltekst i vitenarkiv Vis sammendrag

  Abstract The eye lens is a unique organ as no cells can be replaced throughout life. This makes it decisive that the lens is protected against damaging UV-radiation. An ultraviolet (UV)-absorbing compound of unknown identity is present in the aqueous humor of geese (wild and domestic) and other birds flying at high altitudes. A goose aqueous humor extract, that was believed to contain the UV protective compound which was designated as “compound X”, was fractionated and examined using a variety of spectroscopic techniques including LC–MS and high field one- and two dimensional-NMR methods. A series of compounds were identified but none of them appeared to be the UV protective “compound X”. It may be that the level of the UV protective compound in goose aqueous humor is much less than the compounds identified in our investigation, or it may have been degraded by the isolation and chromatographic purification protocols used in our investigations.

• Cuppen, Herma M.; Smets, Mireille M. H.; Krieger, Annika M.; Ende, Joost A. Van Den; Meekes, Hugo & Eck, Ernst R. H. Van [Vis alle 7 forfattere av denne artikkelen] (2019). The Rich Solid-State Phase Behavior of l -Phenylalanine: Disappearing Polymorphs and High Temperature Forms. Crystal Growth & Design. ISSN 1528-7483. 19(3), s. 1709–1719. doi: 10.1021/acs.cgd.8b01655. Fulltekst i vitenarkiv
• Kihle, Jan Braly & Görbitz, Carl Henrik (2019). Butyl 3-(3,5-di-tert-butyl-4-hy­dr­oxy­phen­yl)prop­ano­ate. IUCrData. 4(2). doi: 10.1107/S241431461900289X. Fulltekst i vitenarkiv Vis sammendrag

  Millimeter-sized crystalline particles of butyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate, C21, magnitudes larger than adherent particulate matter commonly observed during routine filter service inspections, were found in a commercial bus engine running on compressed methane biofuels and subjected to single-crystal XRD investigation. The structure is fully ordered and shows molecules in rather extended conformations being linked into chains by O—H...O hydrogen bonds.

• Welberry, Thomas Richard & Görbitz, Carl Henrik (2019). Simulation of diffuse scattering in DL-norleucine. Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials. ISSN 2052-5192. 75, s. 393–405. doi: 10.1107/S2052520619004839. Fulltekst i vitenarkiv
• Nolsøe, Jens Mortansson Jelstrup; Antonsen, Simen Gjelseth; Görbitz, Carl Henrik; Hansen, Trond Vidar; Nesman, Jannicke Irina & Kjendseth, Åsmund Røhr [Vis alle 7 forfattere av denne artikkelen] (2018). Total synthesis of (-)-mucosin and revision of structure. Journal of Organic Chemistry. ISSN 0022-3263. 83(24), s. 15066–15076. doi: 10.1021/acs.joc.8b02318. Fulltekst i vitenarkiv Vis sammendrag

  The first total synthesis of (−)-mucosin (6), an unusual marine hydrindane natural product incorporating a prostaglandin-like submotif, has been achieved. As a result of the campaign, three of the four all-carbon stereocenters in the purported structure 1 have been revised. Of particular note is the excellent control over β-chirality in conjugate addition to ester (−)-22 and the facial selectivity in the subsequent protonation of an intermediate silyl ketene acetal.

• Görbitz, Carl Henrik (2018). Hydrophobic dipeptides: the final piece in the puzzle. Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials. ISSN 2052-5192. 74(3), s. 311–318. doi: 10.1107/S2052520618007151. Fulltekst i vitenarkiv Vis sammendrag

  The crystal structure of L-valyl-L-leucine aceto­nitrile solvate presented here adds to 24 previously reported structures of dipeptides constructed from the five nonpolar amino acids L-alanine, L-valine, L-isoleucine, L-leucine and L-phenyl­alanine. It thus constitutes the final piece in the 5 × 5 puzzle of hydro­phobic dipeptide structures. This opportunity is taken to review the crystal packing arrangements and hydrogen-bonding preferences of a rather unique group of substances, with updated information on the various hydrogen-bonding patterns and the associated peptide conformations.

• Qi, Lianglin; Gundersen, Lise-Lotte & Görbitz, Carl Henrik (2018). 2-D and 3-D porous structures from tetrakis(4-thyminylmethylphenyl)methane. CrysteEngComm. 20(9), s. 1179–1184. doi: 10.1039/c8ce00078f. Fulltekst i vitenarkiv
• Kristianslund, Renate; Aursnes, Marius; Tungen, Jørn Eivind; Görbitz, Carl Henrik & Hansen, Trond Vidar (2018). Synthesis, Biological Investigation, and Structural Revision of Sielboldianin A. Journal of natural products. ISSN 0163-3864. 81, s. 1007–1013. doi: 10.1021/acs.jnatprod.8b00020. Fulltekst i vitenarkiv Vis sammendrag

  The two ar-bisabol sesquiterpenoids (+)-sielboldianin A (1) and (+)-sielboldianin B (2) were isolated from the stem bark of the plant Fraxinus sielboldiana and belong to a medicinally interesting class of natural products used in traditional Chinese medicine. Herein the total synthesis of the proposed structure of (+)-sielboldianin A (1) is reported using an organocatalyzed enantioselective bromolactonization protocol. X-ray analysis of a key intermediate together with specific rotation values and NOESY data of the synthesized product enabled the revision of the absolute configuration of the natural product (+)-sielboldianin A to (7R,10R). Studies on the antioxidant effects using two cell-based assays were conducted. These studies revealed that the enantiomer of 1 exhibited antioxidant effects with IC50 values of 18 ± 3 μM in a cellular lipid peroxidation antioxidant activity assay. Moreover, (−)-1 showed strong protective effects against reactive oxygen species in a cell-based antioxidant activity assay (IC50 = 31 ± 5 μM). In addition, the two ar-sesquiterpenoids (−)-boivinianin B and (−)-gossoronol showed no effect in either assay. No cytotoxic activity in the K562 cancer cell line was observed for the three sesquiterpenoids tested (IC50 > 50 μM).

• Lien, Vegard Torp; Olberg, Dag Erlend; Klaveness, Jo & Görbitz, Carl Henrik (2017). Crystal structure of 6,7-dimeth­­oxy-1-(4-nitro­phen­yl)quinolin-4(1H)-one: a mol­ecular scaffold for potential tubulin polymerization inhibitors. Acta Crystallographica Section E: Crystallographic Communications. 73, s. 441–444. doi: 10.1107/S2056989017002948. Fulltekst i vitenarkiv
• Antonsen, Simen Gjelseth; Gallantree-Smith, Harrison Christopher; Görbitz, Carl Henrik; Hansen, Trond Vidar; Stenstrøm, Yngve H. & Nolsøe, Jens Mortansson Jelstrup (2017). Stereopermutation on the Putative Structure of the Marine Natural Product Mucosin. Molecules. ISSN 1431-5157. 22(10), s. 1720–1737. doi: 10.3390/molecules22101720. Fulltekst i vitenarkiv Vis sammendrag

  A stereodivergent total synthesis has been executed based on the plausibly misassigned structure of the unusual marine hydrindane mucosin (1). The topological connectivity of the four contiguous all-carbon stereocenters has been examined by selective permutation on the highlighted core. Thus, capitalizing on an unprecedented stereofacial preference of the cis-fused bicycle[4.3.0]non-3-ene system when a Michael acceptor motif is incorporated, copper-mediated conjugate addition furnished a single diastereomer. Cued by the relative relationship reported for the appendices in the natural product, the resulting anti-adduct was elaborated into a probative target structure 1*.

• Khandar, Ali Akbar; Afkhami, Farhad Akbari; Krautscheid, Harald; Kristoffersen, Kenneth Aase; Atioglu, Zeliha & Akkurt, Mehmet [Vis alle 7 forfattere av denne artikkelen] (2017). Crystal structures of di­bromido­{N-[(pyridin-2-yl-κN)methyl­idene]picolinohydrazide-κ2N′,O}cadmium methanol monosolvate and di­iodido{N-[(pyridin-2-yl-κN)methyl­idene]picolinohydrazide-κ2N′,O}cadmium. Acta Crystallographica Section E: Crystallographic Communications. 73, s. 698–701. doi: 10.1107/S2056989017005308. Fulltekst i vitenarkiv
• Gallantree-Smith, Harrison; Antonsen, Simen Gjelseth; Gorbitz, Carl Henrik; Hansen, Trond Vidar; Nolsøe, Jens Mortansson Jelstrup & Stenstrøm, Yngve (2016). Total synthesis based on the originally claimed structure of mucosin. Organic and biomolecular chemistry. ISSN 1477-0520. 14(36), s. 8433–8437. doi: 10.1039/c6ob01511e. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik (2016). Crystal structure of L-leucyl-L-isoleucine 2,2,2-trifluoroethanol monosolvate. Acta Crystallographica Section E: Crystallographic Communications. 72, s. 635–638. doi: 10.1107/S2056989016005302. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik; Wragg, David; Bakke, Ingrid Marie Bergh; Fleicher, Christian; Grønnevik, Gaute & Mykland, Maria [Vis alle 10 forfattere av denne artikkelen] (2016). A phase transition from monoclinic C2 with Z' = 1 to triclinic P1 with Z' = 4 for the quasiracemate L-2-aminobutyric acid–D-methionine (1/1). Acta Crystallographica Section C: Crystal Structure Communications. ISSN 0108-2701. 72, s. 536–543. doi: 10.1107/S2053229616008858. Fulltekst i vitenarkiv
• Qi, Lianglin; Gundersen, Lise-Lotte; Chamgordani, Elahe Jafari & Görbitz, Carl Henrik (2016). Watson-Crick base pairing in 9-methyladenine and ethylene-9,9′-diadenine structures with close to 70% solvent content. CrysteEngComm. 18(34), s. 6352–6357. doi: 10.1039/c6ce01159d. Fulltekst i vitenarkiv
• Görbitz, Carl Henrik; Karen, Pavel; Dusek, Michal & Petricek, Vaclav (2016). An exceptional series of phase transitions in hydrophobic amino acids with linear side chains. IUCrJ. 3, s. 341–353. doi: 10.1107/S2052252516010472. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik (2016). The development and use of a crystallographic database. Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials. ISSN 2052-5192. 72(2), s. 167–168. doi: 10.1107/S2052520616005369. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik & Karen, Pavel (2015). Twin displacive phase transitions in amino acid quasiracemates. Journal of Physical Chemistry B. ISSN 1520-6106. 119(15), s. 4975–4984. doi: 10.1021/acs.jpcb.5b01483. Fulltekst i vitenarkiv
• Viktorsson, Elvar Örn; Åstrand, Ove Alexander Høgmoen; Haseeb, Rasha Sabah; Gorbitz, Carl Henrik & Rongved, Pål (2015). Crystal structure of (S)-2-[(3S,8S,9S,10R,13S,14S,-17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,-12,13,14,15,16,17-tetradecahydro-1 H-cyclopenta-[a]phenanthren-17-yl]-N-methoxy-N-methylpro-panamide (Fernholz Weinreb amide). Acta Crystallographica Section E: Structure Reports Online. 71(3), s. 275–277. doi: 10.1107/S2056989015001747. Fulltekst i vitenarkiv Vis sammendrag

  The literature compound 3[beta]-hy­droxy-bis­nor-5-cholenic aldehyde is an important inter­mediate for the synthesis of new modulators of the nuclear oxysterol receptor Liver X. As part of our ongoing search for new LXR antagonists, the title compound, C24H39NO3, has proven to be an important inter­mediate in our new synthetic pathway, giving the corresponding aldehyde in high yield and in only three steps from the commercially available 3[beta]-hy­droxy-bis­nor-5-cholenic acid. The title amide crystallized with two mol­ecules in the asymmetric unit, linked into helices by O-H...O hydrogen bonds involving the hy­droxy and carbonyl groups.

• Gorbitz, Carl Henrik; Levchenko, Vladimir; Semjonovs, Jevgenijs & Sharif, Mohamed Yusuf (2015). Crystal structure of seleno-L-cystine dihydrochloride. Acta Crystallographica Section E: Structure Reports Online. 71(6), s. 726–729. doi: 10.1107/S205698901501021X. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik; Paulsen, Jan Christian Holgado & Borgersen, Jon (2015). Redetermined crystal structure of β-DL-methionine at 320 K. Acta Crystallographica Section E: Structure Reports Online. 71(6), s. o398–o399. doi: 10.1107/S2056989015008749. Fulltekst i vitenarkiv
• Yadav, Vitthal Narayan; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Bonge-Hansen, Tore & Hennum, Martin [Vis alle 7 forfattere av denne artikkelen] (2015). Microporous Molecular Materials from Dipeptides Containing Non-proteinogenic Residues. Angewandte Chemie International Edition. ISSN 1433-7851. 54(52), s. 15684–15688. doi: 10.1002/anie.201507321. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik (2015). Crystal structures of amino acids: From bond lengths in glycine to metal complexes and high-pressure polymorphs. Crystallography Reviews. ISSN 0889-311X. 21(3), s. 160–212. doi: 10.1080/0889311X.2014.964229. Fulltekst i vitenarkiv
• Ihlefeldt, Franziska Stefanie; Pettersen, Fredrik; Bonin, Aidan von; Zawadzka, Malgorzata Elzbieta & Gorbitz, Carl Henrik (2014). The polymorphs of L-phenylalanine. Angewandte Chemie International Edition. ISSN 1433-7851. 53(49), s. 13600–13604. doi: 10.1002/anie.201406886. Fulltekst i vitenarkiv
• Åstrand, Ove Alexander Høgmoen; Sandberg, Marcel; Sylte, Ingebrigt; Gorbitz, Carl Henrik; Thoresen, G. Hege & Kase, Eili Tranheim [Vis alle 7 forfattere av denne artikkelen] (2014). Synthesis and initial biological evaluation of new mimics of the LXR-modulator 22(S)-hydroxycholesterol. Bioorganic & Medicinal Chemistry. ISSN 0968-0896. 22(1), s. 643–650. doi: 10.1016/j.bmc.2013.10.024. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik (2014). Redetermined structure of β-dl-methionine at 105 K: An example of the importance of freely refining the positions of the amino-group H atoms. Acta Crystallographica Section E: Structure Reports Online. 70(11), s. 341–343. doi: 10.1107/S1600536814022223. Fulltekst i vitenarkiv Vis sammendrag

  Diffraction data were taken from the contribution named `β-DL-Me­thio­nine at 105 K' by Alagar et al. [Acta Cryst. (2005). E61, o1165-o1167]. Refinement of the coordinates of the three amino H atoms, previously constrained to an idealized geometry, shows that the amino group is in fact rotated 13.5° from the perfectly staggered orientation. This apparently modest change has a profound impact on the calculated hydrogen-bond geometries.

• Gorbitz, Carl Henrik; Qi, Lianglin; Mai, Ngan Thi Kim & Kristiansen, Håvard (2014). Redetermined crystal structure of α-dl-methionine at 340 K. Acta Crystallographica Section E: Structure Reports Online. 70(11), s. 337–340. doi: 10.1107/S1600536814022211. Fulltekst i vitenarkiv Vis sammendrag

  Two forms, α and β, are known for the racemic amino acid DL-me­thio­nine, C5H11NO2S. The phase transition between them, taking place around 326 K, is associated with sliding at the central inter­faces of the hydro­phobic regions in the crystal, leaving the hydrogen-bonding pattern unperturbed. For the high-temperature [alpha] phase, only a structure of rather low quality has been available [R factor = 0.118, no H-atom coordinates; Taniguchi et al. (1980). Bull. Chem. Soc. Jpn, 53, 803-804]. We here present accurate structural data for this polymorph [R(F) = 0.049], which are compared with other related amino acid structures with similar properties. We report for the first time that the side chain of this phase has a minor disorder component [occupancy 0.0491 (18)] with a gauche+ rather than a gauche- conformation for the N-C-C-C group. In the crystal of the title compound, N-H...O hydrogen bonds link the mol­ecules into (100) sheets.

• Gorbitz, Carl Henrik; Leirvåg, Alexander Bakos & Jacobsen, Øyvind (2014). Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids. CrysteEngComm. 16(41), s. 9631–9637. doi: 10.1039/c4ce01412j. Fulltekst i vitenarkiv
• Yadav, Vitthal Narayan & Gorbitz, Carl Henrik (2014). A supra-molecular ladder-like network from trimesic acid and pyrazine N,N′-dioxide. Acta Crystallographica Section C: Crystal Structure Communications. ISSN 0108-2701. 70(1), s. 43–45. doi: 10.1107/S2053229613032737. Fulltekst i vitenarkiv
• Kaupang, Åsmund; Gorbitz, Carl Henrik & Bonge-Hansen, Tore (2013). A solid-state oxidation of 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfinate to 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfonate. Acta Crystallographica Section C: Crystal Structure Communications. ISSN 0108-2701. 69, s. 778–+. doi: 10.1107/S0108270113015011. Fulltekst i vitenarkiv
• Yadav, Vitthal Narayan & Gorbitz, Carl Henrik (2013). Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids. CrysteEngComm. 15(36), s. 7321–7326. doi: 10.1039/c3ce40960k. Fulltekst i vitenarkiv
• Åstrand, Ove Alexander; Iqbal, Zeshan; Sandberg, Marcel; Kase, Eili Tranheim; Gorbitz, Carl Henrik & Rongved, Pål (2013). (2S,3S)-2,6-Dimethylheptane-1,3-diol, the oxygenated side chain of 22(S)-hydroxycholestrol, and its synthetic precursor (R)-4-benzyl-3-[(2R,3S)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one. Acta Crystallographica Section C: Crystal Structure Communications. ISSN 0108-2701. 69, s. 647–+. doi: 10.1107/S0108270113011852. Fulltekst i vitenarkiv
• Åstrand, Ove Alexander Høgmoen; Gorbitz, Carl Henrik; Kristoffersen, Kenneth Aase & Rongved, Pål (2013). Acetonitrile){2-[bis(pyridin-2-ylmethyl-κ2 N)amino-κN]-N-(2,6-dimethylphenyl)acetamide-κO}(perchlorato-κO)zinc (acetonitrile){2-[bis(pyridin-2-ylmethyl-κ2 N)amino-κN]-N-(2,6-dimethylphenyl)acetamide-κO}zinc tris(perchlorate). Acta Crystallographica Section E: Structure Reports Online. 69(2), s. m112–m113. doi: 10.1107/S1600536813001396. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik & Yadav, Vitthal Narayan (2013). N-(L-2-Aminopentanoyl)-L-phenylalanine dihydrate, a hydrophobic dipeptide with a nonproteinogenic residue. Acta Crystallographica Section C: Crystal Structure Communications. ISSN 0108-2701. 69, s. 1067–+. doi: 10.1107/S0108270113021914. Fulltekst i vitenarkiv
• Yadav, Vitthal Narayan & Gorbitz, Carl Henrik (2013). A supramolecular 2: 1 guanidinium-carboxylate based building block for generation of water channels and clusters in organic materials. CrysteEngComm. 15(3), s. 439–442. doi: 10.1039/c2ce26572a. Fulltekst i vitenarkiv
• Yadav, Vitthal Narayan & Gorbitz, Carl Henrik (2013). Water of Hydration in 2:1 Hydrogen-Bonded Complexes between 1,5,7-Triazabicyclo[4.4.0]dec-5-ene and Dicarboxylic Acids. Crystal Growth & Design. ISSN 1528-7483. 13(5), s. 2174–2180. doi: 10.1021/cg400250n. Fulltekst i vitenarkiv
• Kaupang, Åsmund; Gorbitz, Carl Henrik & Bonge-Hansen, Tore (2013). N,N'-Bis(2-diazoacetyl)piperazine. Acta Crystallographica Section E: Structure Reports Online. 69(8), s. o1241–o1241. doi: 10.1107/S1600536813018801. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik & Yadav, Vitthal Narayan (2013). A water wire in L-prolyl-L-serine monohydrate. Acta Crystallographica Section C: Crystal Structure Communications. ISSN 0108-2701. 69, s. 556–+. doi: 10.1107/S0108270113010299. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik & Yadav, Vitthal Narayan (2013). An unexpected tetragonal unit cell for N-(L-2-aminobutyryl)-L-serine. Acta Crystallographica Section C: Crystal Structure Communications. ISSN 0108-2701. 69, s. 888–+. doi: 10.1107/S0108270113017484. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik; Alebachew, Fassil & Petricek, Vaclav (2012). Solid-State Phase Transitions of DL-Aminobutyric Acid. Journal of Physical Chemistry B. ISSN 1520-6106. 116(35), s. 10715–10721. doi: 10.1021/jp305016k. Fulltekst i vitenarkiv
• Langseth, Eirin; Gorbitz, Carl Henrik; Heyn, Richard H & Tilset, Mats (2012). Versatile Methods for Preparation of New Cyclometalated Gold(III) Complexes. Organometallics. ISSN 0276-7333. 31(18), s. 6567–6571. doi: 10.1021/om300537a. Fulltekst i vitenarkiv Vis sammendrag

  Versatile methods for the high-yield syntheses of new cyclometalated gold(III) complexes are described. Mono- or dialkylated or arylated gold(III) complexes are selectively obtained from reaction of Au(OCOCF3)2(tpy) (tpy = 2-(p-tolyl)pyridine) with either RMgX or RLi, respectively. Specifically, AuMe2(tpy) and AuPh2(tpy) were prepared with the respective lithium reagents, and AuBrMe(tpy), AuBrEt(tpy), and AuBrPh(tpy) were prepared with Grignard reagents. The molecular structures of compounds Au(OCOCF3)2(tpy) and AuMe2(tpy) were determined by single crystal X-ray diffraction.

• Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, T.N. & Gorbitz, Carl Henrik (2012). Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains. CrysteEngComm. 14(18), s. 5943–5954. doi: 10.1039/c2ce25241d. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik; Törnroos, Karl Wilhelm & Day, Graeme M. (2012). Single-crystal investigation of L-tryptophan with Z '=16. Acta Crystallographica Section B: Structural Science. ISSN 0108-7681. 68, s. 549–557. doi: 10.1107/S0108768112033484. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik (2011). l-Histidyl-l-serine 3.7-hydrate: water channels in the crystal structure of a polar dipeptide. Acta Crystallographica Section C: Crystal Structure Communications. ISSN 0108-2701. 66, s. O531–O534. doi: 10.1107/S0108270110038254. Fulltekst i vitenarkiv
• Gebreslasie, Hadgu G; Jacobsen, Øyvind & Gorbitz, Carl Henrik (2011). N-(tert-Butoxycarbonyl)-alpha-aminoisobutyryl-alpha-aminoisobutyric acid methyl ester: two polymorphic forms in the space group P2(1)/n. Acta Crystallographica Section C: Crystal Structure Communications. ISSN 0108-2701. 67, s. O283–O287. doi: 10.1107/S0108270111024322. Fulltekst i vitenarkiv
• Jacobsen, Øyvind; Gebreslasie, Hadgu G; Klaveness, Jo; Rongved, Pål & Gorbitz, Carl Henrik (2011). N-(tert-Butoxycarbonyl)-L-valyl-L-valine methyl ester: a twisted parallel beta-sheet in the crystal structure of a protected dipeptide. Acta Crystallographica Section C: Crystal Structure Communications. ISSN 0108-2701. 67, s. O278–O282. doi: 10.1107/S0108270111022293. Fulltekst i vitenarkiv
• Gorbitz, Carl Henrik (2011). Solid-State Phase Transitions in DL-Norvaline Studied by Single-Crystal X-ray Diffraction. Journal of Physical Chemistry B. ISSN 1520-6106. 115(10), s. 2447–2453. doi: 10.1021/jp111332m. Fulltekst i vitenarkiv

Se alle arbeider i NVA

• Jemterud, Torkild; Bjorå, Charlotte Sletten; Görbitz, Carl Henrik; Bøhn, Einar Duenger; Dietrichs, Erik Sveberg & Paus-Knudsen, Julie Sørlie [Vis alle 8 forfattere av denne artikkelen] (2025). Abels tårns ekstrasending. [Radio]. P2. doi: https:/radio.nrk.no/podkast/abels_taarn/sesong/2025. Fulltekst i vitenarkiv
• Berland, Kristian; Sødahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba; Nilsen, Ola; Görbitz, Carl Henrik & Walker, Julian Bradley [Vis alle 7 forfattere av denne artikkelen] (2025). Ferroelectric and piezoelectric molecular crystals: From database mining to computational design. Fulltekst i vitenarkiv
• Bjorå, Charlotte Sletten; Görbitz, Carl Henrik & Bratlie, Sigrid (2024). Abels tårn. [Radio]. NRK. Fulltekst i vitenarkiv
• Sødahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba; Balagopan, Manjunath; Walker, Julian Bradley; Gørbitz, Carl Henrik & Helland-Madsen, Georg [Vis alle 8 forfattere av denne artikkelen] (2024). Computational modeling of ferroelectric and piezoelectric plastic crystals​. Fulltekst i vitenarkiv
• Sødahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba; Gørbitz, Carl Henrik & Berland, Kristian (2024). Screening the CSD to identify ferroelectric plastic crystals. Fulltekst i vitenarkiv
• Jemterud, Torkild; Roberts, Aubrey Jane; Görbitz, Carl Henrik & Einevoll, Gaute (2024). Abels tårn. [Radio]. NRK P2. Fulltekst i vitenarkiv
• Seyedraoufi, Seyedmojtaba; Sødahl, Elin Dypvik; Gørbitz, Carl Henrik & Berland, Kristian (2024). Database mining and first-principles assessment of organic proton-transfer ferroelectrics. Fulltekst i vitenarkiv
• Engebretsen, Solveig; Görbitz, Carl Henrik; Ellingsen, Kristian & Jemterud, Torkild (2024). Abels tårn: Hva er de ti sterkeste dyrene? [Radio]. NRK P2. Fulltekst i vitenarkiv
• Roberts, Aubrey Jane; Görbitz, Carl Henrik; Mossige, Joachim; Samset, Bjørn Hallvard & Uggerud, Einar (2023). Abels Tårn. [Radio]. NRK P3 EKKO. Fulltekst i vitenarkiv
• Seyedraoufi, Seyedmojtaba; Sødahl, Elin Dypvik; Berland, Kristian & Gørbitz, Carl Henrik (2023). Database mining and first-principles assessment of organic proton-transfer ferroelectrics. Fulltekst i vitenarkiv
• Seyedraoufi, Seyedmojtaba; Sødahl, Elin Dypvik; Berland, Kristian & Gørbitz, Carl Henrik (2022). Database mining and first-principles assessment of organic proton-transfer molecular ferroelectrics. Fulltekst i vitenarkiv
• Sødahl, Elin Dypvik; Walker, Julian Bradley; Seyedraoufi, Seyedmojtaba; Görbitz, Carl Henrik & Berland, Kristian (2022). Ferroelectric molecular crystals – Discovering and modeling of unknown properties in known materials. Fulltekst i vitenarkiv
• Friedman, Yael; Watzl, Sebastian; Oftedal, Gry & Görbitz, Carl Henrik (2022). Kurering, heling og habilitering. Tidsskrift for Den norske legeforening (Tidsskriftet). ISSN 0029-2001. 142(5). doi: 10.4045/tidsskr.21.0653. Fulltekst i vitenarkiv
• Sødahl, Elin Dypvik; Seyedraoufi, Seyedmojtaba; Görbitz, Carl Henrik & Berland, Kristian (2022). Molecular ferroelectric crystals: Discovering new sustainable ferroelectrics. Fulltekst i vitenarkiv
• Friedman, Yael; Watzl, Sebastian; Oftedal, Gry & Görbitz, Carl Henrik (2021). Hva betyr «å bli bra» etter helseproblemer? Tre ord kan hjelpe oss å være tydeligere. Aftenposten Viten. ISSN 2464-3033. s. 28–29. Fulltekst i vitenarkiv
• Sødahl, Elin Dypvik; Görbitz, Carl Henrik & Berland, Kristian (2021). Mining the Cambridge Structural Database for substituted structures to guide rational design of organic molecular crystals​. Fulltekst i vitenarkiv
• Rattalma, Arnoldo Frigessi Di; Köhn-Luque, Alvaro; Kristensen, Vessela N.; Gørbitz, Carl Henrik & Engebråten, Olav (2020). Kan statistikk og matematikk redde like mange liv som nye medisiner? Aftenposten (morgenutg. : trykt utg.). ISSN 0804-3116. Fulltekst i vitenarkiv
• Görbitz, Carl Henrik; Jakobsen, Kjetill Sigurd; Sandve, Simen Rød; Goksøyr, Anders; Brautaset, Trygve & Jørgensen, Trond Ø. (2019). Den sjette masseutryddelse og Jordens DNA. Fulltekst i vitenarkiv
• Nolsøe, Jens Mortansson Jelstrup; Stenstrøm, Yngve H.; Antonsen, Simen Gjelseth; Hansen, Trond Vidar; Røhr, Åsmund Kjendseth & Nesman, Jannicke Irina [Vis alle 8 forfattere av denne artikkelen] (2019). Total Synthesis of (−)-Mucosin and Structural Revision. Fulltekst i vitenarkiv
• Antonsen, Simen Gjelseth; Nolsøe, Jens Mortansson Jelstrup; Stenstrøm, Yngve H.; Hansen, Trond Vidar; Røhr, Åsmund Kjendseth & Nesman, Jannicke Irina [Vis alle 8 forfattere av denne artikkelen] (2018). Total Synthesis of (−)-Mucosin and Structural Revision. Fulltekst i vitenarkiv
• Nolsøe, Jens Mortansson Jelstrup; Antonsen, Simen Gjelseth; Nesman, Jannicke Irina; Hansen, Trond Vidar; Stenstrøm, Yngve H. & Görbitz, Carl Henrik [Vis alle 8 forfattere av denne artikkelen] (2018). Total Synthesis of (−)-Mucosin and Structural Revision. Fulltekst i vitenarkiv
• Kristianslund, Renate; Aursnes, Marius; Tungen, Jørn Eivind; Görbitz, Carl Henrik & Hansen, Trond Vidar (2018). Enantioselective bromolactonization using chiral squaramides - Application in the total synthesis of (-)-sielboldianin A. Fulltekst i vitenarkiv
• Nolsøe, Jens Mortansson Jelstrup; Antonsen, Simen Gjelseth; Gallantree-Smith, Harrison Christopher; Görbitz, Carl Henrik; Hansen, Trond Vidar & Stenstrøm, Yngve H. (2018). Total synthesis targeting structural elucidation of marine hydrindane natural products. Fulltekst i vitenarkiv
• Görbitz, Carl Henrik; Bergsaker, Anne Schad; Bøckman, Petter & Jemterud, Torkild (2018). Abels tårn. [Radio]. Ekko, NRK P2. Fulltekst i vitenarkiv
• Kristianslund, Renate; Aursnes, Marius; Tungen, Jørn Eivind; Görbitz, Carl Henrik & Hansen, Trond Vidar (2017). Synthesis of (-)-sielboldianin A using a squaramide catalyzed enantioselective bromolactonization reaction. Fulltekst i vitenarkiv
• Nolsøe, Jens Mortansson Jelstrup; Gallantree-Smith, Harrison; Antonsen, Simen Gjelseth; Gorbitz, Carl Henrik; Hansen, Trond Vidar & Stenstrøm, Yngve (2017). Total synthesis based on the originally claimed structure of mucosin. Fulltekst i vitenarkiv
• Antonsen, Simen Gjelseth; Stenstrøm, Yngve H.; Hansen, Trond Vidar; Gallantree-Smith, Harrison Christopher; Nolsøe, Jens Mortansson Jelstrup & Görbitz, Carl Henrik (2017). Total synthesis based on the originally claimed structure of mucosin. Fulltekst i vitenarkiv
• Day, Graeme M. & Gorbitz, Carl Henrik (2016). Introduction to the special issue on crystal structure prediction. Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials. ISSN 2052-5192. 72(4), s. 435–436. doi: 10.1107/S2052520616012348. Fulltekst i vitenarkiv
• Vogt, Yngve; Thorbjørnsrud, Helen Vikdal; Burschowsky, Daniel; Gorbitz, Carl Henrik & Krengel, Ute (2015). Molekylforskning kan gi ny medisin mot tuberkulose. Apollon : Forskningsmagasin for Universitetet i Oslo. ISSN 0803-6926. Fulltekst i vitenarkiv
• Lausund, Kristian Blindheim; Wilson, Steven Ray Haakon; Gorbitz, Carl Henrik; Lundanes, Elsa & Nilsen, Ola (2015). Nano-filters for blood sample analysis. Fulltekst i vitenarkiv
• Jemterud, Torkild; Wenn, Camilla Cecilie; Holm, Sverre & Gorbitz, Carl Henrik (2015). Tidskapsler - og andre spørsmål. [Radio]. NRK Ekko - Abels tårn. Fulltekst i vitenarkiv
• Lausund, Kristian Blindheim; Wilson, Steven Ray Haakon; Gorbitz, Carl Henrik; Lundanes, Elsa & Nilsen, Ola (2015). Porous inorganic-organic hybrid materials by ALD. Fulltekst i vitenarkiv
• Lausund, Kristian Blindheim; Wilson, Steven Ray Haakon; Gorbitz, Carl Henrik; Lundanes, Elsa & Nilsen, Ola (2015). Deposition of organic-inorganic hybrid films of Zr-1,4-BDC by ALD. Fulltekst i vitenarkiv
• Lausund, Kristian Blindheim; Wilson, Steven Ray Haakon; Gorbitz, Carl Henrik; Lundanes, Elsa & Nilsen, Ola (2015). Nano-filters for Blood Sample Analysis. Fulltekst i vitenarkiv
• Holmsen, Marte Sofie; Gorbitz, Carl Henrik; Øien, Sigurd & Tilset, Mats (2014). Synthesis, Structure and Dynamics of New Rh(III) N-Heterocyclic Carbene Complexes. Fulltekst i vitenarkiv
• Hammami, Amir; Høiland, Klaus & Gorbitz, Carl Henrik (2014). Abels Tårn. [Radio]. EKKO, NRK P2. Fulltekst i vitenarkiv
• Holmsen, Marte Sofie; Gorbitz, Carl Henrik; Øien, Sigurd & Tilset, Mats (2014). Synthesis, structure and dynamics of new Rh(III) N-heterocyclic carbene complexes. Fulltekst i vitenarkiv
• Holmsen, Marte Sofie; Gørbitz, Carl Henrik; Øien, Sigurd & Tilset, Mats (2014). Synthesis, structure and dynamics of new Rh(III) N-heterocyclic carbene complexes. Fulltekst i vitenarkiv
• Holmsen, Marte Sofie; Gorbitz, Carl Henrik; Øien, Sigurd & Tilset, Mats (2014). Synthesis, structure and dynamics of new Rh(III) N-heterocyclic carbene complexes. Fulltekst i vitenarkiv
• Berland, Kristian; Gørbitz, Carl Henrik & Sødahl, Elin Dypvik (2024). Molecular ferroelectric plastic crystals : computational modeling and discovery. Norges miljø- og biovitenskapelige universitet (NMBU). Fulltekst i vitenarkiv Vis sammendrag

  In recent years, ferroelectric molecular crystals, specifically those with globular molecules, have gained interest due to their rapid ferroelectric switching, high Curie temperatures, and multiaxial ferroelectricity. These materials can host mesophases characterized by an orientational disorder of their molecular species. Close-packed mesophase materials can be malleable and ductile, and are thus called plastic crystals. Their unique mechanical properties are enabled by numerous slip planes and broken intermolecular bonds due to molecular rotation. This thesis focuses on the computational discovery and modeling of mesophase molecular ferroelectrics. While there is some insight into the ferroelectric mechanisms in plastic crystals, their piezoelectric mechanisms are less explored. Density functional theory (DFT) computations for a selection of known ferroelectrics found that materials composed of globular species showed sizable shear piezoelectric responses due to molecular rotations under strain. Systems with higher hydrogen-bond density show smaller responses, as these bonds can hinder rotation. The plastic crystals displayed small dielectric responses and large compliance, resulting in a large electromechanical coupling factor and thus potential for energy harvesting application. A combined experimental and theoretical study of tetraethylammonium bromotrichloroferrite found that the material exhibits a small and stable piezoelectric response, which together with the small elastic moduli makes the material inhabiting a unique parameter space. Despite the growing interest, there are still fairly few reported ferroelectric molecular crystals. This motivated a screening study of the Cambridge Structural Database to identify ferroelectrics likely to display a disordered mesophase. Crystal structures, molecular geometry, and hydrogen-bond patterns were investigated to find materials that allow for molecular reorientation. Out of the 75 materials identified, 54 had not been studied for ferroelectric and related properties earlier. Furthermore, 20 of these were found likely to exhibit a plastic mesophase. DFT computations predicted spontaneous polarization above 10 µC/cm 2 for 17 materials with room-temperature ferroelectric phases, making them promising for technological applications. To gain an understanding of the dynamical disorder in molecular ferroelectrics, we employed a machine-learned force field (MLFF) to study the temperature-dependent behavior of HdaboClO4 . The molecular dynamics (MD) simulations provided a prediction of the thermal expansion and molecular reorientation in line with experimental measurements. MLFFs can give insight into chemical reactions, as they do not demand pre-defined bonding patterns. This enabled the study of proton transfer, revealing both an increasing transfer frequency at elevated temperatures and the change in orientation of hydrogen-bonded chains of Hdabco + molecules. The combination of DFT and MD with MLFFs makes a well-equipped toolbox to investigate the ferroelectric, piezoelectric, and dynamical properties of this promising group of materials. Combining these approaches with database screening can accelerate the development of materials for technological applications.

• Zawadzka, Malgorzata Elzbieta; Wilson, Steven Ray Haakon & Görbitz, Carl Henrik (2016). Unravelling nature s sunglasses – Identifying the compound that protects bird eyes. Universitetet i Oslo. Fulltekst i vitenarkiv
• Alebachew, Fassil & Görbitz, Carl Henrik (2016). X-ray structural investigation of protected oligopeptides as model compounds for the development of aquaporin inhibitors. Universitetet i Oslo. Fulltekst i vitenarkiv
• Qi, Lianglin; Görbitz, Carl Henrik & Gundersen, Lise-Lotte (2015). Supramolecular synthesis of porous crystalline networks from DNA-based building units. Universitetet i Oslo. Fulltekst i vitenarkiv
• Yadav, Vitthal Narayan; Görbitz, Carl Henrik & Bonge-Hansen, Tore (2013). Design and Synthesis of Microporous Dipeptide Structures and Guanidinium-carboxylate-based Organic Supramolecular Materials. Universitetet i Oslo. Fulltekst i vitenarkiv Vis sammendrag

  The basis of supramolecular chemistry is a detailed knowledge of fundamental molecular properties and non-covalent interactions, which is dedicated to the preparation of novel structures as functional materials. Here we discuss the design and synthesis of such new molecular self-assemblies. Based on the structures and properties of these molecules, this dissertation describes the two types of supramolecular structures in two different chapters.<br> Chapter 1 deals with the design, preparation, characterization and applications of chiral, bio-degradable, guest-specific and environment-friendly nanoporous crystalline dipeptides. In the hydrogen-bonded networks, dipeptides with hydrophobic L-amino acid residues are known to form pores of different diameters, ranging from 3-10 Å. The hydrophobic bulk and orientations of the side chains of these dipeptides provide further scope for structure-based modifications to fine-tune their pore dimensions. Thus, towards the liberation of space occupied by bulky hydrophobic terminals of the amino acid side chains from the periphery of channels, a series of dipeptides from non-proteinogenic and proteinogenic amino acids have been synthesized, crystallized and analyzed by single crystal X-ray diffraction methods. The majority of these dipeptides were obtained as porous structures. As nanoporous materials, a few of these dipeptides were studied for CO₂ and methane gas absorption and selectivity.<br> Chapter 2 demonstrates the supramolecular synthesis of charge-assisted complexes from binary acid-base components. The well-directed hydrogen bond formation between acids and bases is a very useful tool in designing new supramolecular assemblies. Here we pursued an approach to use 1,5,7 triazabicyclo[4.4.0]-dec-5-ene, a guanidine derivative, with di- or monocarboxylic acids to generate guanidinium-carboxylate complexes. These molecular structures were designed to explore the effects of limited hydrogen-bond forming ability of guanidinium moiety and carboxylate group, and to check the propensity of guanidinuimcarboxylate complexes for the inclusion of guest molecules, for instance the water molecules. In fact, these complexes in crystals have interacted with the water molecules or carboxyl groups in the absence of any other potential donors and formed different water networks and 1D molecular pattern, which as organic materials may find various future applications as proton conductors, selective ion channels and gelators etc.

• Eilertsen, Einar Andre & Görbitz, Carl Henrik (2012). Synthesis of zeolites with controlled active sites and topology. Universitetet i Oslo. Fulltekst i vitenarkiv
• Schoultz, Bent Wilhelm & Görbitz, Carl Henrik (2012). Automated radiosynthesis of tracers for use in positron emission tomography. Universitetet i Oslo. Fulltekst i vitenarkiv

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