A novel stibacarbaborane cluster with adjacent antimony atoms exhibiting unique pnictogen bond formation that dominates its crystal packing

0480249 - ÚACH 2018 RIV GB eng J - Journal Article
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. Roč. 46, č. 40 (2017), s. 13714-13719. ISSN 1477-9226. E-ISSN 1477-9234
R&D Projects: GA ČR(CZ) GA17-08045S
Institutional support: RVO:61388980 ; RVO:61388963
Keywords : adjusted pseudopotentials * derivates * halogen * carboranes * chalcogen
OECD category: Inorganic and nuclear chemistry
Impact factor: 4.099, year: 2017

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).
Permanent Link: http://hdl.handle.net/11104/0276555