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Collect. Czech. Chem. Commun. 2001, 66, 1375-1379
https://doi.org/10.1135/cccc20011375

Charge Distribution Within 1,2-Dicarba-closo-dodecaborane: Dipole Moments of Its Phenyl Derivatives

Drahomír Hnyka,*, Václav Všetečkab, Ladislav Drožb and Otto Exnerc

a Institute of Inorganic Chemistry, Academy of Sciences of the Czech Republic, CZ-250 68 Řež, Czech Republic
b Department of Organic Chemistry, Charles University, Hlavova 2030, CZ-128 40 Prague 2, Czech Republic
c Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, CZ-166 10 Prague 6, Czech Republic

Crossref Cited-by Linking

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  • McKee Michael L., Vrána Jan, Holub Josef, Fanfrlík Jindřich, Hnyk Drahomír: DFT Surface Infers Ten-Vertex Cationic Carboranes from the Corresponding Neutral closo Ten-Vertex Family: The Computed Background Confirming Their Experimental Availability. Molecules 2023, 28, 3645. <https://doi.org/10.3390/molecules28083645>
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  • Vrána Jan, Holub Josef, Růžičková Zdeňka, Fanfrlík Jindřich, Hnyk Drahomír, Růžička Aleš: Investigation of Thiaborane closo–nido Conversion Pathways Promoted by N-Heterocyclic Carbenes. Inorg. Chem. 2019, 58, 2471. <https://doi.org/10.1021/acs.inorgchem.8b03037>
  • Bakardjiev Mario, Růžička Aleš, Růžičková Zdeňka, 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. Inorg. Chem. 2019, 58, 2865. <https://doi.org/10.1021/acs.inorgchem.8b03550>
  • Fanfrlík Jindřich, Hnyk Drahomír, Hobza Pavel: Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane. Molecules 2019, 24, 2657. <https://doi.org/10.3390/molecules24142657>
  • Oliva‐Enrich Josep M., Humbel Stephane, Santaballa J. Arturo, Alkorta Ibon, Notario Rafael, Dávalos Juan Z., Canle‐L. Moisés, Bernhardt Eduard, Holub Josef, Hnyk Drahomír: Predicted Gas‐Phase and Liquid‐Phase Acidities of Carborane Carboxylic and Dicarboxylic Acids. ChemistrySelect 2018, 3, 4344. <https://doi.org/10.1002/slct.201800683>
  • Melichar Petr, Hnyk Drahomír, Fanfrlík Jindřich: A systematic examination of classical and multi-center bonding in heteroborane clusters. Phys. Chem. Chem. Phys. 2018, 20, 4666. <https://doi.org/10.1039/C7CP07422K>
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  • Fanfrlík Jindřich, Hnyk Drahomír: Dihalogen and Pnictogen Bonding in Crystalline Icosahedral Phosphaboranes. Crystals 2018, 8, 390. <https://doi.org/10.3390/cryst8100390>
  • Fanfrlík Jindřich, Pecina Adam, Řezáč Jan, Sedlak Robert, Hnyk Drahomír, Lepšík Martin, Hobza Pavel: B–H⋯π: a nonclassical hydrogen bond or dispersion contact?. Phys. Chem. Chem. Phys. 2017, 19, 18194. <https://doi.org/10.1039/C7CP02762A>
  • Vetushka Aliaksei, Bernard Laetitia, Guseva Olga, Bastl Zdeněk, Plocek Jiří, Tomandl Ivo, Fejfar Antonín, Baše Tomáš, Schmutz Patrik: Adsorption of oriented carborane dipoles on a silver surface. Physica Status Solidi (b) 2016, 253, 591. <https://doi.org/10.1002/pssb.201552446>
  • Fanfrlík Jindřich, Hnyk Drahomír: Chalcogens act as inner and outer heteroatoms in borane cages with possible consequences for σ-hole interactions. CrystEngComm 2016, 18, 8982. <https://doi.org/10.1039/C6CE01861K>
  • Vishnevskiy Yury V., Tikhonov Denis S., Reuter Christian G., Mitzel Norbert W., Hnyk Drahomír, Holub Josef, Wann Derek A., Lane Paul D., Berger Raphael J. F., Hayes Stuart A.: Influence of Antipodally Coupled Iodine and Carbon Atoms on the Cage Structure of 9,12-I2-closo-1,2-C2B10H10: An Electron Diffraction and Computational Study. Inorg. Chem. 2015, 54, 11868. <https://doi.org/10.1021/acs.inorgchem.5b02102>
  • Campanelli Anna Rita, Domenicano Aldo, Hnyk Drahomír: Transmission of Electronic Substituent Effects across the 1,12-Dicarba-closo-dodecaborane Cage: A Computational Study Based on Structural Variation, Atomic Charges, and 13C NMR Chemical Shifts. J. Phys. Chem. A 2015, 119, 205. <https://doi.org/10.1021/jp5106407>
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  • Nunes João Pedro F., Holub Josef, Rankin David W. H., Wann Derek 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 Trans. 2015, 44, 11819. <https://doi.org/10.1039/C5DT01460C>
  • Hnyk Drahomír, Holub Josef, Růžička Aleš, Padělková Zdeňka, Bühl Michael: Expanding the structural chemistry of the weakly coordinating closo-carborane CB11H12 −: its monoiodo derivatives with and without C 5v symmetry. Struct Chem 2013, 24, 927. <https://doi.org/10.1007/s11224-013-0246-9>
  • Samdal Svein, Møllendal Harald, Hnyk Drahomir, Holub Josef: Microwave Spectra and Structures of 1,2-(ortho)- and 1,7-(meta)-Carborane, C2B10H12. J. Phys. Chem. A 2011, 115, 3380. <https://doi.org/10.1021/jp200820d>
  • Hnyk Drahomír, Všetečka Václav, Drož Ladislav: Charge distribution within hypercarbon-halogenated 1-Ph-2-X-1,2-dicarba-closo-dodecaboranes, (X = F, Cl, Br, I): A dipole moment and computational study. Journal of Molecular Structure 2010, 978, 246. <https://doi.org/10.1016/j.molstruc.2010.02.027>
  • Hnyk Drahomír, Holub Josef, Jelínek Tomáš, Macháček Jan, Londesborough Michael G. S.: Revisiting B20H16 by means of a joint computational/experimental NMR approach. Collect. Czech. Chem. Commun. 2010, 75, 1115. <https://doi.org/10.1135/cccc2010073>
  • Drož Ladislav, Fox Mark A., Hnyk Drahomír, Low Paul J., MacBride J. A. Hugh, Všetečka Václav: Experimental and computed dipole moments in donor–bridge–acceptor systems with p-phenylene and p-carboranediyl bridges. Collect. Czech. Chem. Commun. 2009, 74, 131. <https://doi.org/10.1135/cccc2008154>
  • Baše Tomáš, Bastl Zdeněk, Šlouf Miroslav, Klementová Mariana, Šubrt Jan, Vetushka Aliaksei, Ledinský Martin, Fejfar Antonín, Macháček Jan, Carr Michael J., Londesborough Michael G. S.: Gold Micrometer Crystals Modified with Carboranethiol Derivatives. J. Phys. Chem. C 2008, 112, 14446. <https://doi.org/10.1021/jp802281s>
  • Baše Tomáš, Bastl Zdeněk, Plzák Zbyněk, Grygar Tomáš, Plešek Jaromír, Carr Michael J., Malina Václav, Šubrt Jan, Boháček Jaroslav, Večerníková Eva, Kříž Otomar: Carboranethiol-Modified Gold Surfaces. A Study and Comparison of Modified Cluster and Flat Surfaces. Langmuir 2005, 21, 7776. <https://doi.org/10.1021/la051122d>
  • Alekseyeva Elena S., Fox Mark A., Howard Judith A. K., Hugh MacBride J. A., Wade Kenneth: Synthesis and crystal structure of an assembly of three ortho‐carborane cages linked via para‐phenylene units: effect of aryl orientation on cage CC bond lengths in C‐aryl‐ortho‐carboranes. Applied Organom Chemis 2003, 17, 499. <https://doi.org/10.1002/aoc.467>