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

Josef Holub; Petr Melichar; Zdeňka Růžičková; Jan Vrána; Derek A Wann; Jindřich Fanfrlík; Drahomír Hnyk; Aleš Růžička

doi:10.1039/c7dt02845h

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

Josef Holub, Petr Melichar, Zdeňka Růžičková, Jan Vrána, Derek A Wann, Jindřich Fanfrlík^*, Drahomír Hnyk, Aleš Růžička

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

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-7,8,9,11-Sb₂C₂B₇H₉ is predominantly dictated by pnictogen (Pn) bonding, an unconventional σ-hole interaction. Indeed, the interaction energy of a very strong Sb₂⋯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 Cl₃Pn⋯π complexes (Pn = As, Sb).

Original language	English
Pages (from-to)	13714-13719
Number of pages	6
Journal	Dalton Transactions
Volume	46
Issue number	40
Early online date	12 Sept 2017
DOIs	https://doi.org/10.1039/c7dt02845h
Publication status	Published - 2017

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10.1039/c7dt02845h

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

abstract = "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-7,8,9,11-Sb2C2B7H9 is predominantly dictated by pnictogen (Pn) bonding, an unconventional σ-hole interaction. Indeed, the interaction energy of a very strong Sb2⋯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 Cl3Pn⋯π complexes (Pn = As, Sb).",

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T1 - A novel stibacarbaborane cluster with adjacent antimony atoms exhibiting unique pnictogen bond formation that dominates its crystal packing

AU - Holub, Josef

AU - Melichar, Petr

AU - Růžičková, Zdeňka

AU - Vrána, Jan

AU - Wann, Derek A

AU - Fanfrlík, Jindřich

AU - Hnyk, Drahomír

AU - Růžička, Aleš

PY - 2017

Y1 - 2017

N2 - 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-7,8,9,11-Sb2C2B7H9 is predominantly dictated by pnictogen (Pn) bonding, an unconventional σ-hole interaction. Indeed, the interaction energy of a very strong Sb2⋯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 Cl3Pn⋯π complexes (Pn = As, Sb).

AB - 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-7,8,9,11-Sb2C2B7H9 is predominantly dictated by pnictogen (Pn) bonding, an unconventional σ-hole interaction. Indeed, the interaction energy of a very strong Sb2⋯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 Cl3Pn⋯π complexes (Pn = As, Sb).

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U2 - 10.1039/c7dt02845h

DO - 10.1039/c7dt02845h

M3 - Article

C2 - 28956033

SN - 1477-9234

VL - 46

SP - 13714

EP - 13719

JO - Dalton Transactions

JF - Dalton Transactions

IS - 40

ER -

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

Abstract

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