Search Results - "Hnyk, Drahomir"

Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2‑C2B9H11)2]Cs by Marco, José F., Dávalos-Prado, Juan Z., Hnyk, Drahomír, Holub, Josef, Oña, Ofelia B., Alcoba, Diego R., Ferrer, Maxime, Elguero, José, Lain, Luis, Torre, Alicia, Oliva-Enrich, Josep M.

“…Mössbauer and X-ray photoelectron spectroscopies (XPS) are complemented with high-level quantum-chemical computations in the study of the geometric and…”
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Beyond the Limits of Perbromo‐Substituted Octahedral Pnictogenaboranes: A Spectroscopic and Computational Study by Keller, Willi, Fanfrlík, Jindřich, Hnyk, Drahomír

“…Octahedral closo‐1,2‐Pn2B4Br4 (Pn=P, As) molecules react with tetrahydrothiophene (THT), regarded as a soft base, much slower than with tetrahydrofuran (THF),…”
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A Direct Route to closo‐SBnCln Thiaboranes from Simple Electron‐Precise Synthons: The Different Role of Chalcogen Bonding in SB5Cl5 and SB11Cl11 Crystals by Keller, Willi, Lissner, Falk, Ballmann, Joachim, Fanfrlík, Jindřich, Hnyk, Drahomír, Schleid, Thomas

“…Six‐vertex closo‐SB5Cl5 (1) and ten‐vertex closo‐1‐SB9Cl9 (2) thiaboranes have been prepared, besides the already known 12‐vertex closo‐SB11Cl11 (3), from the…”
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Reactivity of Perhalogenated Octahedral Phospha- and Arsaboranes toward THF: A Joint Experimental/Computational Study by Keller, Willi, Hofmann, Matthias, Sárosi, Menyhárt-Botond, Fanfrlík, Jindřich, Hnyk, Drahomír

“…Reactions of the perhalogenated polyhedral pnictogenaboranes closo-1,2-Pn2B4Hal4 (Pn = P, As; Hal = Cl, Br) with Lewis bases are presently being studied with a…”
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The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics by Fanfrlík, Jindřich, Přáda, Adam, Padělková, Zdeňka, Pecina, Adam, Macháček, Jan, Lepšík, Martin, Holub, Josef, Růžička, Aleš, Hnyk, Drahomír, Hobza, Pavel

“…The chalcogen bond is a nonclassical σ‐hole‐based noncovalent interaction with emerging applications in medicinal chemistry and material science. It is found…”
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Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane by Fanfrlík, Jindřich, Hnyk, Drahomír, Hobza, Pavel

“…Chalcogen atoms are a class of substituents capable of generating inner and outer derivatives of boron clusters. It is well known that chalcogenated boron…”
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Access to cationic polyhedral carboranes via dynamic cage surgery with N-heterocyclic carbenes by Vrána, Jan, Holub, Josef, Samsonov, Maksim A., Růžičková, Zdeňka, Cvačka, Josef, McKee, Michael L., Fanfrlík, Jindřich, Hnyk, Drahomír, Růžička, Aleš

“…Polyhedral boranes and heteroboranes appear almost exclusively as neutral or anionic species, while the cationic ones are protonated at exoskeletal heteroatoms…”
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Carbon-Substituted Amines of the Cobalt Bis(dicarbollide) Ion: Stereochemistry and Acid–Base Properties by Tüzün, Ece Zeynep, Pazderová, Lucia, Bavol, Dmytro, Litecká, Miroslava, Hnyk, Drahomír, Růžičková, Zdeňka, Horáček, Ondřej, Kučera, Radim, Grűner, Bohumír

“…Organic amines are found to be abundant in natural living systems. They also constitute an inestimable family of building blocks available in drug design…”
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Preparation, structure, reactivity, Lewis acidic and fluorescence properties of arylpyridine based boron C,N-chelates featuring weakly coordinating anions by Škoch, Karel, Buziková, Michaela, Hnyk, Drahomír, Litecká, Miroslava, Kloda, Matouš, Kirakci, Kaplan, Lang, Kamil

“…Herein, we present the preparation of a series of electronically and/or sterically distinct borenium-type species based on a simple 2-arylpyridine scaffold…”
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Ten-vertex closo-carboranes react with “wet” fluoride: A direct closo-to-arachno transformation as a result of a hydride transfer by Holub, Josef, Bakardjiev, Mario, McKee, Michael L., Hnyk, Drahomír

“…[Display omitted] On the basis of the experimentally observable transformation of closo-1,6-C2B8H10 to arachno-4,6-C2B7H12− with NBu4F, the DFT computational…”
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DFT Surface Infers Ten-Vertex Cationic Carboranes from the Corresponding Neutral closo Ten-Vertex Family: The Computed Background Confirming Their Experimental Availability by McKee, Michael L, Vrána, Jan, Holub, Josef, Fanfrlík, Jindřich, Hnyk, Drahomír

“…Modern computational protocols based on the density functional theory (DFT) infer that polyhedral ten-vertex carboranes are key starting stationary states in…”
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The Telluraboranes closo‐TeB5Cl5 and closo‐TeB11Cl11 with Exceptionally Long Body Diagonals: Synthetic and Bonding Motifs for Innovative Octahedral and Icosahedral Geometries by Keller, Willi, Ballmann, Joachim, Sárosi, Menyhárt B., Fanfrlík, Jindřich, Hnyk, Drahomír

“…Six‐vertex closo‐TeB5Cl5 (1) and twelve‐vertex closo‐TeB11Cl11 (2) telluraboranes have been prepared via co‐pyrolysis of B2Cl4 with TeCl4 in vacuo at…”
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Chalcogen and Pnicogen Bonds in Complexes of Neutral Icosahedral and Bicapped Square-Antiprismatic Heteroboranes by Pecina, Adam, Lepšík, Martin, Hnyk, Drahomír, Hobza, Pavel, Fanfrlík, Jindřich

“…A systematic quantum mechanical study of σ-hole (chalcogen, pnicogen, and halogen) bonding in neutral experimentally known closo-heteroboranes is performed…”
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Photochromic System among Boron Hydrides: The Hawthorne Rearrangement by Francés-Monerris, Antonio, Holub, Josef, Roca-Sanjuán, Daniel, Hnyk, Drahomír, Lang, Kamil, Oliva-Enrich, Josep M

“…Photoswitchable molecules have attracted wide interest for many applications in chemistry, physics, and materials science. In this work, we revisit the…”
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Electrophilic Methylation of Decaborane(14): Selective Synthesis of Tetramethylated and Heptamethylated Decaboranes and Their Conjugated Bases by Holub, Josef, Růžička, Aleš, Růžičková, Zdeňka, Fanfrlík, Jindřich, Hnyk, Drahomír, Štíbr, Bohumil

“…The paper reports specific syntheses of methylated decaborane(14), nido-B10H14 (1), derivatives. The reaction of 1 with an excess of neat MeI and AlCl3 yields…”
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Rearrangement of dicarboranyl methyl cation to icosahedral C3B9H12+: An ab initio dynamics view by Perumalla, D. Sravanakumar, Ghorai, Sagar, Pal, Tanmoy, Hnyk, Drahomír, Holub, Josef, Jemmis, Eluvathingal D.

“…Closo‐carborane anions are prominent, whereas the cations of the same are less abundant in the literature. As these ions have similar size and are weakly…”
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Nuclear Magnetic Shielding of Monoboranes: Calculation and Assessment of 11B NMR Chemical Shifts in Planar BX3 and in Tetrahedral [BX4]− Systems by Macháček, Jan, Bühl, Michael, Fanfrlík, Jindřich, Hnyk, Drahomír

“…11B NMR chemical shifts of tricoordinated BX3 and tetracoordinated BX4 – compounds (X = H, CH3, F, Cl, Br, I, OH, SH, NH2, and CHCH2) were computed, and the…”
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Synthesis of closo-1,2‑H2C2B8Me8 and 1,2‑H2C2B8Me7X (X = I and OTf) Dicarbaboranes and Their Rearrangement Reactions by Bakardjiev, Mario, Růžička, Aleš, Růžičková, Zdeňka, Tok, Oleg L, Holub, Josef, Hnyk, Drahomír, Fanfrlík, Jindřich, Štíbr, Bohumil

“…Methyl-camouflaged dicarbaboranes closo-1,2- and 1,10-H2C2B8Me8 have been prepared in high yields either from nido-5,6-H2C2B8H10 or closo-1,2-H2C2B8H8 via…”
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Competition between Halogen, Hydrogen and Dihydrogen Bonding in Brominated Carboranes by Fanfrlík, Jindřich, Holub, Josef, Růžičková, Zdeňka, Řezáč, Jan, Lane, Paul D., Wann, Derek A., Hnyk, Drahomír, Růžička, Aleš, Hobza, Pavel

“…Halogen bonds are a subset of noncovalent interactions with rapidly expanding applications in materials and medicinal chemistry. While halogen bonding is well…”
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Thiaborane Icosahedral Barrier Increased by the Functionalization of all Terminal Hydrogens in closo-1-SB11H11 by Bakardjiev, Mario, Holub, Josef, Bavol, Dmytro, Vrána, Jan, Samsonov, Maksim A, Růžička, Aleš, Růžičková, Zdeňka, Fanfrlík, Jindřich, Hnyk, Drahomír

“…The electrophilic substitution of icosahedral closo-1-SB11H11 with methyl iodide has resulted in two B-functionalized thiaboranes,…”
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