Zobrazeno 1 - 10
of 170
pro vyhledávání: '"Drahomír Hnyk"'
Autor:
Jan Vrána, Josef Holub, Maksim A. Samsonov, Zdeňka Růžičková, Josef Cvačka, Michael L. McKee, Jindřich Fanfrlík, Drahomír Hnyk, Aleš Růžička
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-7 (2021)
In comparison to their neutral or anionic counterparts, examples of cationic boron clusters remain scarce. Here, the authors prepare a variety of cationic polyhedral boranes by reacting closo-10-vertex carboranes with N-heterocyclic carbenes; the res
Externí odkaz:
https://doaj.org/article/21c4119fa0b647f68aac02e4a0513d98
Publikováno v:
Molecules, Vol 28, Iss 8, p 3645 (2023)
Modern computational protocols based on the density functional theory (DFT) infer that polyhedral closo ten-vertex carboranes are key starting stationary states in obtaining ten-vertex cationic carboranes. The rearrangement of the bicapped square pol
Externí odkaz:
https://doaj.org/article/afa1c22035f9494d8e306e642c5211d0
Publikováno v:
Crystals, Vol 10, Iss 10, p 896 (2020)
On the basis of the direct transformations of closo-1,2-C2B8H10 with OH(−) and NH3 to arachno-1,6,9-OC2B8H13(−) and arachno-1,6,9-NC2B8H13, respectively, which were experimentally observed, the DFT computational protocol was used to examine the c
Externí odkaz:
https://doaj.org/article/efd5ccf6206f46c9a270d55978ccf38a
Autor:
Miroslav Havránek, Maksim A. Samsonov, Josef Holub, Zdeňka Růžičková, Ladislav Drož, Aleš Růžička, Jindřich Fanfrlík, Drahomír Hnyk
Publikováno v:
Molecules, Vol 25, Iss 5, p 1200 (2020)
Although 1-Ph-2-X-closo-1,2-C2B10H10 (X = F, Cl, Br, I) derivatives had been computed to have positive values of the heat of formation, it was possible to prepare them. The corresponding solid-state structures were computationally analyzed. Electrost
Externí odkaz:
https://doaj.org/article/6ef3ad25e6734b33b74e0f75cbc2dbf1
Publikováno v:
Molecules, Vol 24, Iss 14, p 2657 (2019)
Chalcogen atoms are a class of substituents capable of generating inner and outer derivatives of boron clusters. It is well known that chalcogenated boron clusters can form strong σ-hole interactions when a chalcogen atom is a part of an icosahedron
Externí odkaz:
https://doaj.org/article/9c9bb5f0e96e4e299db805dcc81a0901
Autor:
Jindřich Fanfrlík, Drahomír Hnyk
Publikováno v:
Crystals, Vol 8, Iss 10, p 390 (2018)
Noncovalent interactions in the single crystal of 3,6-Cl2-closo-1,2-P2B10H8 and in the crystal of closo-1,7-P2B10Cl10•toluene were analyzed by means of quantum chemical computations. The crystal packing in the second crystal was dominated by numero
Externí odkaz:
https://doaj.org/article/9ca36d8d75d64df3b17b1486f7adbf4d
Publikováno v:
Crystals, Vol 7, Iss 7, p 225 (2017)
Boron and arsenic triiodides (BI3 and AsI3, respectively) are similar molecules that differ mainly in their geometries. BI3 is a planar trigonal molecule with D3h symmetry, while AsI3 exhibits a trigonal pyramidal shape with C3v symmetry. Consequentl
Externí odkaz:
https://doaj.org/article/efd8bfbb7476482d853e310cf07bf73d
Autor:
José F. Marco, Juan Z. Dávalos-Prado, Drahomír Hnyk, Josef Holub, Ofelia B. Oña, Diego R. Alcoba, Maxime Ferrer, José Elguero, Luis Lain, Alicia Torre, Josep M. Oliva-Enrich
Publikováno v:
ACS Omega. 8:13993-14004
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::326f46ab9b0c290f988eada7831af4b3
https://doi.org/10.1021/acsomega.3c00422
https://doi.org/10.1021/acsomega.3c00422
Publikováno v:
Inorganic Chemistry. 61:16565-16572
Reactions of the perhalogenated polyhedral pnictogenaboranes
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9065bbc711a26c93eaf4941459f9e904
https://doi.org/10.1021/acs.inorgchem.2c00971
https://doi.org/10.1021/acs.inorgchem.2c00971
Publikováno v:
Angewandte Chemie.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bfef49e8f71569cd5e91d404c28e32e3
https://doi.org/10.1002/ange.202219018
https://doi.org/10.1002/ange.202219018