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Staff list

RNDr. Drahomír Hnyk, CSc., DSc.

Phone: 311236926
Department: Department of Syntheses
Budova: /
List of publications: asep/uach-t/0102660
Research insterest
analysis of experimentally determined and computed dipole moments; DFT and ab initio calculations of various quantities; molecular structure determinations of free molecules (organic systems, boron clusters) by gas-phase electron diffraction, theoretical studies of reaction mechanisms of substitution reactions and various rearrangements on boron clusters, noncovalent interactions in crystals with possible consequences in medicinal chemistry and chemistry of materials


PERUMALLA, D., GHORAI, S., PAL, T., HNYK, Drahomír, HOLUB, Josef, JEMMIS, E. D. Rearrangement of dicarboranyl methyl cation to icosahedral C3B9H12+: An ab initio dynamics view. Journal of Computational Chemistry. 2023, 44(3), 256-260
BAKARDJIEV, Mario, HOLUB, Josef, BAVOL, Dmytro, VRÁNA, J., SAMSONOV, M. A., RŮŽIČKA, A., RŮŽIČKOVÁ, Z., FANFRLÍK, Jindřich, HNYK, Drahomír. Thiaborane Icosahedral Barrier Increased by the Functionalization of all Terminal Hydrogens in closo-1-SB11H11. Inorganic Chemistry. 2021, 60(12), 8428-8431
BAKARDJIEV, Mario, HOLUB, Josef, RŮŽIČKOVÁ, Z., RŮŽIČKA, A., FANFRLÍK, Jindřich, ŠTÍBR, Bohumil, MCKEE, M.L., HNYK, Drahomír. Transformation of various multicenter bondings within bicapped-square antiprismatic motifs: Z-rearrangement. Dalton Transactions. 2021, 50(35), 12098-12106
VRÁNA, J., HOLUB, Josef, SAMSONOV, M. A., RŮŽIČKOVÁ, Z., CVAČKA, Josef, MCKEE, M.L., FANFRLÍK, Jindřich, HNYK, Drahomír, RŮŽIČKA, A. Access to cationic polyhedral carboranes via dynamic cage surgery with N-heterocyclic carbenes. Nature Communications. 2021, 12(1)), 4971
ASSAF, K. I., HOLUB, Josef, BERNHARDT, E., OLIVA-ENRICH, J. M., FERNÁNDEZ PÉREZ, M. I., CANLE, M., SANTABALLA, J.A., FANFRLÍK, Jindřich, HNYK, Drahomír, NAU, W. M. Face-Fusion of Icosahedral Boron Hydride Increases Affinity to ??Cyclodextrin: closo,closo?[B21H18]? as an Anion with Very Low Free Energy of Dehydration. ChemPhysChem. 2020, 21(10), 971-976
HAVRÁNEK, M., SAMSONOV, M. A., HOLUB, Josef, RŮŽIČKOVÁ, Z., DROŽ, L., RŮŽIČKA, A., FANFRLÍK, Jindřich, HNYK, Drahomír. The influence of halogenated hypercarbon on crystal packing in the series of 1-Ph-2-X-1,2-dicarba-closo-dodecaboranes (X = F, Cl, Br, I). Molecules. 2020, 25(5)), 1200
HOLUB, Josef, VISHNEVSKIY, Y. V., FANFRLÍK, Jindřich, MITZEL, N. W., TIKHONOV, D., SCHWABEDISSEN, J., MCKEE, M.L., HNYK, Drahomír. Bromination Mechanism of closo-1,2-C2B10H12 and the Structure of the Resulting 9-Br-closo-1,2-C2B10H11 Determined by Gas Electron Diffraction. ChemPlusChem. 2020, 85(12), 2606-2610
HOLUB, Josef, RŮŽIČKA, A., RŮŽIČKOVÁ, Z., FANFRLÍK, Jindřich, HNYK, Drahomír, ŠTÍBR, Bohumil. Electrophilic Methylation of Decaborane(14): Selective Synthesis of Tetramethylated and Heptamethylated Decaboranes and Their Conjugated Bases. Inorganic Chemistry. 2020, 59(15), 10540-10547
HOLUB, Josef, FANFRLÍK, Jindřich, MCKEE, M.L., HNYK, Drahomír. Reactions of experimentally known closo-C2B8H10 with bases. A computational study. Crystals. 2020, 10(10)), 896
BAKARDJIEV, Mario, RŮŽIČKA, A., RŮŽIČKOVÁ, Z., TOK, Oleg L., HOLUB, Josef, HNYK, Drahomír, FANFRLÍK, Jindřich, ŠTÍBR, Bohumil. Synthesis of closo-1,2-H2C2B8Me8 and 1,2-H2C2B8Me7X (X = I and OTf) Dicarbaboranes and Their Rearrangement Reactions. Inorganic Chemistry. 2019, 58(4), 2865-2871
BAŠE, Tomáš, HOLUB, Josef, FANFRLÍK, Jindřich, HNYK, Drahomír, LANE, P. D., WANN, D. A., VISHNEVSKIY, Y. V., TIKHONOV, D. S., REUTER, C. G., MITZEL, N. W. Icosahedral Carbaboranes with Peripheral Hydrogen–Chalcogenide Groups: Structures from Gas Electron Diffraction and Chemical Shielding in Solution. Chemistry - A European Journal. 2019, 25(9), 2313-2321
FANFRLÍK, Jindřich, HNYK, Drahomír, HOBZA, Pavel. Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane. Molecules. 2019, 24(14)), 2657
FRANCES-MONERRIS, A., HOLUB, Josef, ROCA-SANJUAN, D., HNYK, Drahomír, LANG, Kamil, OLIVA-ENRICH, J. M. Photochromic System among Boron Hydrides: The Hawthorne Rearrangement. Journal of Physical Chemistry Letters. 2019, 10(20), 6202-6207
HOLUB, Josef, VRÁNA, J., RŮŽIČKA, A., RŮŽIČKOVÁ, Z., FANFRLÍK, Jindřich, HNYK, Drahomír. Thiaboranes on Both Sides of the Icosahedral Barrier: Retaining and Breaking the Barrier with Carbon Functionalities. ChemPlusChem. 2019, 84(7), 822-827
MACHÁČEK, Jan, FRANCES-MONERRIS, A., KARMODAK, N., ROCA-SANJUAN, D., FANFRLÍK, Jindřich, LONDESBOROUGH, Michael Geoffrey Stephen, HNYK, Drahomír, JEMMIS, E. D. A theoretical analysis of the structure and properties of B26H30 isomers. Consequences to the laser and semiconductor doping capabilities of large borane clusters. Physical Chemistry Chemical Physics. 2019, 21(24), 12916-12923
PRUDILOVÁ, B., OTYEPKOVÁ, E., FANFRLÍK, Jindřich, HNYK, Drahomír, HOLUB, Josef, PETR, M., FILIP, J., ČÉPE, K., LAZAR, P., OTYEPKA, M. Surface termination of MgB2 unveiled by a combination of adsorption experiments and theoretical calculations. Physical Chemistry Chemical Physics. 2019, 21(14), 7313-7320
VRÁNA, J., HOLUB, Josef, RŮŽIČKOVÁ, Z., FANFRLÍK, Jindřich, HNYK, Drahomír, RŮŽIČKA, A. Investigation of Thiaborane closo- nido Conversion Pathways Promoted by N-Heterocyclic Carbenes. Inorganic Chemistry. 2019, 58(4), 2471-2482
VRÁNA, J., HOLUB, Josef, SAMSONOV, M. A., RŮŽIČKOVÁ, Z., FANFRLÍK, Jindřich, HNYK, Drahomír, RŮŽIČKA, A. Thiaborane clusters with an exoskeletal B-H group. Chemical Communications. 2019, 55(23), 3375-3378
BAKARDJIEV, Mario, TOK, Oleg L., RŮŽIČKA, A., RŮŽIČKOVÁ, Z., HOLUB, Josef, HNYK, Drahomír, FANFRLÍK, Jindřich, ŠTÍBR, Bohumil. Quantitative syntheses of permethylated closo-1,10-R2C2B8Me8 (R = H, Me) carboranes. Egg-shaped hydrocarbons on the Frontier between inorganic and organic chemistry. RSC Advances. 2018, 8(67), 38238-38244
FANFRLÍK, Jindřich, HNYK, Drahomír. Dihalogen and Pnictogen Bonding in Crystalline Icosahedral Phosphaboranes. Crystals. 2018, 8(10)), 390
HOLUB, Josef, RŮŽIČKOVÁ, Z., HOBZA, Pavel, FANFRLÍK, Jindřich, HNYK, Drahomír, RŮŽIČKA, A. Various types of non-covalent interactions contributing towards crystal packing of halogenated diphospha-dicarbaborane with an open pentagonal belt. New Journal of Chemistry. 2018, 42(13), 10481-10483
MELÁNOVÁ, Klára, HOLUB, Josef, HYNEK, Jan, FANFRLÍK, Jindřich, BENEŠ, L., KUTÁLEK, P., KREJČOVÁ, A., HNYK, Drahomír, ZIMA, Vítězslav. Outerly functionalized and non-functionalized boron clusters intercalated into layered hydroxides with different modes of binding: materials for superacid storage. Dalton Transactions. 2018, 47(33), 11669-11679
MELICHAR, Petr, HNYK, Drahomír, FANFRLÍK, Jindřich. A systematic examination of classical and multi-center bonding in heteroborane clusters. Physical Chemistry Chemical Physics. 2018, 20(7), 4666-4675
OLIVA-ENRICH, J. M., HUMBEL, S., SANTABALLA, J.A., ALKORTA, I., NOTARIO, R., DÁVALOS, J. Z., CANLE-L., M., BERNHARDT, E., HOLUB, Josef, HNYK, Drahomír. Predicted Gas-Phase and Liquid-Phase Acidities of Carborane Carboxylic and Dicarboxylic Acids. ChemistrySelect. 2018, 3(16), 4344-4353
Oliva-Enrich, J. M. - Humbel, S. - Dávalos, J. Z. - Holub, Josef - Hnyk, Drahomír, 2018: OLIVA-ENRICH, J. M., HUMBEL, S., DÁVALOS, J. Z., HOLUB, Josef, HNYK, Drahomír. Proton affinities of amino group functionalizing 2D and 3D boron compounds. Afinidad. 2018, 75(584), 260-266
EYRILMEZ, Saltuk M., BERNHARDT, E., DÁVALOS, J. Z., LEPŠÍK, Martin, HOBZA, Pavel, ASSAF, K. I., NAU, W. M., HOLUB, Josef, OLIVA-ENRICH, J. M., FANFRLÍK, Jindřich, HNYK, Drahomír. Binary twinned-icosahedral [B21H18](-) interacts with cyclodextrins as a precedent for its complexation with other organic motifs. Physical Chemistry Chemical Physics. 2017, 19(19), 11748-11752
FANFRLÍK, Jindřich, PECINA, Adam, ŘEZÁČ, Jan, SEDLÁK, Robert, HNYK, Drahomír, LEPŠÍK, Martin, HOBZA, Pavel. B-H center dot center dot center dot pi: a nonclassical hydrogen bond or dispersion contact? Physical Chemistry Chemical Physics. 2017, 19(28), 18194-18200
FANFRLÍK, Jindřich, ŠVEC, P., RŮŽIČKOVÁ, Z., HNYK, Drahomír, RŮŽIČKA, A., HOBZA, Pavel. The Interplay between Various sigma- and pi-Hole Interactions of Trigonal Boron and Trigonal Pyramidal Arsenic Triiodides. Crystals. 2017, 7(7)), 225
HOLUB, Josef, MELICHAR, Petr, RŮŽIČKOVÁ, Z., VRÁNA, J., WANN, D. A., FANFRLÍK, Jindřich, HNYK, Drahomír, RŮŽIČKA, A. A novel stibacarbaborane cluster with adjacent antimony atoms exhibiting unique pnictogen bond formation that dominates its crystal packing. Dalton Transactions. 2017, 46(40), 13714-13719
LONDESBOROUGH, Michael Geoffrey Stephen, DOLANSKÝ, Jiří, CERDÁN, L., LANG, Kamil, JELÍNEK, Tomáš, OLIVA, J. M., HNYK, Drahomír, ROCA-SANJUAN, D., FRANCES-MONERRIS, A., MARTINČÍK, Jiří, NIKL, Martin, KENNEDY, John David. Thermochromic Fluorescence from B18H20(NC5H5)(2): An Inorganic-Organic Composite Luminescent Compound with an Unusual Molecular Geometry. Advanced Optical Materials. 2017, 5(6)), UNSP 1600694
MACHÁČEK, Jan, BÜHL, M., FANFRLÍK, Jindřich, HNYK, Drahomír. Nuclear Magnetic Shielding of Monoboranes: Calculation and Assessment of B-11 NMR Chemical Shifts in Planar BX3 and in Tetrahedral [BX4](-) Systems. Journal of Physical Chemistry A. 2017, 121(50), 9631-9637
MEDVED, M., DEMISSIE, T.B., MCKEE, M.L., HNYK, Drahomír. The behavior of a paramagnetic system in electric and magnetic fields as exemplified by revisiting Li@B10H14. Physical Chemistry Chemical Physics. 2017, 19(19), 12229-12236
ŠTÍBR, Bohumil, HOLUB, Josef, BAKARDJIEV, Mario, LANE, P. D., MCKEE, M., WANN, D. A., HNYK, Drahomír. Unusual cage rearrangements in 10-vertex nido-5,6-dicarbaborane derivatives: An interplay between theory and experiment. Inorganic Chemistry. 2017, 56(2), 852-860
BAKARDJIEV, Mario, HOLUB, Josef, HNYK, Drahomír, ŠTÍBR, Bohumil, RŮŽIČKOVÁ, Z., RŮŽIČKA, A. An unexpected rearrangement of carbon vertexes in the tricarbollide series. Asymmetrical 7-aryl-nido-7,8,9-C3B8H11 derivatives. Journal of Organometallic Chemistry. 2016, 805(MAR), 117-121
BAKARDJIEV, Mario, HOLUB, Josef, TOK, Oleg L., ŠTÍBR, Bohumil, HNYK, Drahomír, NEKVINDA, Jan, RŮŽIČKOVÁ, Z., RŮŽIČKA, A. Open-face alkylation of the 8-R-nido-7,8,9-C3B8H11 tricarbollides. Journal of Organometallic Chemistry. 2016, 822(NOV), 80-84
FANFRLÍK, Jindřich, HOLUB, Josef, RŮŽIČKOVÁ, Z., ŘEZÁČ, Jan, LANE, P. D., WANN, D. A., HNYK, Drahomír, RŮŽIČKA, A., HOBZA, Pavel. Competition between Halogen, Hydrogen and Dihydrogen Bonding in Brominated Carboranes. ChemPhysChem. 2016, 17(21), 3373-3376
FANFRLÍK, Jindřich, HNYK, Drahomír. Chalcogens act as inner and outer heteroatoms in borane cages with possible consequences for sigma-hole interactions. CrystEngComm. 2016, 18(47), 8982-8987
RŮŽIČKOVÁ, Z., HOLUB, Josef, MELICHAR, Petr, MONCOL, J., WANN, D. A., FANFRLÍK, Jindřich, RŮŽIČKA, A., HNYK, Drahomír. The pi Complex of the Hydronium Ion Frozen on the Pathway of Electrophilic Aromatic Substitution. European Journal of Organic Chemistry. 2016, 2016(26), 4473-4475
TOK, Oleg L., BAKARDJIEV, Mario, ŠTÍBR, Bohumil, HNYK, Drahomír, HOLUB, Josef, PADĚLKOVÁ, Z., RŮŽIČKA, A. Click Dehydrogenation of Carbon-Substituted nido-5,6-C2B8H12 Carboranes: A General Route to closo-1,2-C2B8H10 Derivatives. Inorganic Chemistry. 2016, 55(17), 8839-8843
TOK, Oleg L., RŮŽIČKOVÁ, Z., RŮŽIČKA, A., HNYK, Drahomír, ŠTÍBR, Bohumil. Prototropic mu-H-8,H-9 and mu-H-9,H-10 Tautomers Derived from the [nido-5,6-C2B8H11](-) Anion. Inorganic Chemistry. 2016, 55(20), 10122-10124
VISHNEVSKIY, Y. V., TIKHONOV, D. S., REUTER, C. G., MITZEL, N. W., HNYK, Drahomír, HOLUB, Josef, WANN, D. A., LANE, P. D., BERGER, R. J. F., HAYES, S. A. Influence of Antipodally Coupled Iodine and Carbon Atoms on the Cage Structure of 9,12-I-2-closo-1,2-C2B10H10: An Electron Diffraction and Computational Study. Inorganic Chemistry. 2015, 54(24), 11868-11874
BAKARDJIEV, Mario, HOLUB, Josef, MACHÁČEK, Jan, HNYK, Drahomír, ŠTÍBR, Bohumil, RŮŽIČKOVÁ, Z., RŮŽIČKA, A. Unique Stereocontrol in Carborane Chemistry: Skeletal Alkylcarbonation (SAC) versus Exoskeletal Alkylmethylation (EAM) Reactions. Angewandte Chemie - International Edition. 2015, 54(16), 4937-4940
CAMPANELLI, A.R., DOMENICANO, A., HNYK, Drahomír. Transmission of Electronic Substituent Effects across the 1,12-Dicarba-doso-dodecaborane Cage: A Computational Study Based on Structural Variation, Atomic Charges, and C-13 NMR Chemical Shifts. Journal of Physical Chemistry A. 2015, 119(1), 205-214
GRÜNER, Bohumír, ŠÍCHA, Václav, HNYK, Drahomír, LONDESBOROUGH, Michael Geoffrey Stephen, CÍSAŘOVÁ, I. The Synthesis and Structural Characterization of Polycyclic Derivatives of Cobalt Bis(dicarbollide)(1(-)). Inorganic Chemistry. 2015, 54(7), 3148-3158
NUNES, J. P. F., HOLUB, Josef, RANKIN, D. W. H., WANN, D. A., HNYK, Drahomír. A computational analysis of the apparent nido vs. hypho conflict: Are we dealing with six- or eight-vertex open-face diheteroboranes? Dalton Transactions. 2015, 44(26), 11819-11826
PECINA, Adam, LEPŠÍK, Martin, HNYK, Drahomír, HOBZA, Pavel, FANFRLÍK, Jindřich. Chalcogen and Pnicogen Bonds in Complexes of Neutral Icosahedral and Bicapped Square-Antiprismatic Heteroboranes. Journal of Physical Chemistry A. 2015, 119(8), 1388-1395