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

作者:Holub Josef; Melichar Petr; Ruzickova Zdenka; Vrana Jan; Wann Derek A; Fanfrlik Jindrich*; Hnyk Drahomir*; Ruzicka Ales*
来源:Dalton Transactions, 2017, 46(40): 13714-13719.
DOI:10.1039/c7dt02845h

摘要

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).

  • 出版日期2017-10-28