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

We have prepared nido -7,8,9,11-Sb 2 C 2 B 7 H 9 , 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 t...

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Veröffentlicht in:Dalton transactions : an international journal of inorganic chemistry 2017-10, Vol.46 (4), p.13714-13719
Hauptverfasser: Holub, Josef, Melichar, Petr, R i ková, Zde ka, Vrána, Jan, Wann, Derek A, Fanfrlík, Jind ich, Hnyk, Drahomír, R i ka, Aleš
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container_issue 4
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container_title Dalton transactions : an international journal of inorganic chemistry
container_volume 46
creator Holub, Josef
Melichar, Petr
R i ková, Zde ka
Vrána, Jan
Wann, Derek A
Fanfrlík, Jind ich
Hnyk, Drahomír
R i ka, Aleš
description We have prepared nido -7,8,9,11-Sb 2 C 2 B 7 H 9 , 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 -7,8,9,11-Sb 2 C 2 B 7 H 9 is predominantly dictated by pnictogen (Pn) bonding, an unconventional σ-hole interaction. Indeed, the interaction energy of a very strong Sb 2 H-B Pn-bond in the nido -7,8,9,11-Sb 2 C 2 B 7 H 9 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 π complexes (Pn = As, Sb). The reaction of arachno -4,6-C 2 B 7 H 13 with SbCl 3 yields nido -7,8,9,11-Sb 2 C 2 B 7 H 9 , which simultaneously has Sb-Sb, Sb-B and Sb-C bonds and a unique ability to form pnictogen bonds.
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title A novel stibacarbaborane cluster with adjacent antimony atoms exhibiting unique pnictogen bond formation that dominates its crystal packing
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