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A novel stibacarbaborane cluster with adjacent antimony atoms exhibiting unique pnictogen bond formation that dominates its crystal packing
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SYSNO ASEP 0480249 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title A novel stibacarbaborane cluster with adjacent antimony atoms exhibiting unique pnictogen bond formation that dominates its crystal packing Author(s) Holub, Josef (UACH-T) SAI, RID, ORCID
Melichar, Petr (UOCHB-X)
Růžičková, Z. (CZ)
Vrána, J. (CZ)
Wann, D. A. (GB)
Fanfrlík, Jindřich (UOCHB-X) RID, ORCID
Hnyk, Drahomír (UACH-T) SAI, RID, ORCID
Růžička, A. (CZ)Source Title Dalton Transactions. - : Royal Society of Chemistry - ISSN 1477-9226
Roč. 46, č. 40 (2017), s. 13714-13719Number of pages 6 s. Language eng - English Country GB - United Kingdom Keywords adjusted pseudopotentials ; derivates ; halogen ; carboranes ; chalcogen Subject RIV CA - Inorganic Chemistry OECD category Inorganic and nuclear chemistry R&D Projects GA17-08045S GA ČR - Czech Science Foundation (CSF) Institutional support UACH-T - RVO:61388980 ; UOCHB-X - RVO:61388963 UT WOS 000413157600011 EID SCOPUS 85031745227 DOI 10.1039/C7DT02845H Annotation We have prepared nido-7,8,9,11-Sb2C2B7H9, the first cluster with simultaneous Sb-B, Sb-C and Sb-Sb atom pairs with interatomic separations with magnitudes that approach the respective sums of covalent radii. However, the length of the Sb-Sb separation in this cluster is slightly less than the sum of the covalent radii. Quantum chemical analysis has revealed that the crystal packing of nido-7,8,9,11Sb(2)C(2)B(7)H(9) is predominantly dictated by pnictogen (Pn) bonding, an unconventional sigma-hole interaction. Indeed, the interaction energy of a very strong Sb-2 center dot center dot center dot H-B Pn-bond in the nido-7,8,9,11-Sb2C2B7H9 dimer exceeds -6.0 kcal mol(-1). This is a very large value and is comparable to the strengths of known Pn-bonds in Cl(3)Pn center dot center dot center dot pi complexes (Pn = As, Sb). Workplace Institute of Inorganic Chemistry Contact Jana Kroneislová, krone@iic.cas.cz, Tel.: 311 236 931 Year of Publishing 2018
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