The origins of the different bonding features in SiH5 - and CH5-; A valence bond curve crossing model

Gjergji Sini; Philippe C. Hiberty; Sason S. Shaik

doi:10.1039/C39890000772

The origins of the different bonding features in SiH₅ ^- and CH₅^-; A valence bond curve crossing model

Gjergji Sini
, Philippe C. Hiberty^*
, Sason S. Shaik

^*Corresponding author for this work

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

35 Scopus citations

Abstract

Valence bond (VB) computations reveal that the difference between the SiH₅^- and CH₅^- title species does not derive from the hypervalency associated with d atomic orbitals, but rather from the ability of Si to utilize efficiently its σ*(Si-H) orbitals for bonding, much more so than C with the σ*(C-H) orbitals, so that SiH₅^- possesses two H-Si-H axial bonds vs. only one such bond for CH₅^-.

Original language	English
Pages (from-to)	772-774
Number of pages	3
Journal	Chemical Communications
Issue number	12
DOIs	https://doi.org/10.1039/C39890000772
State	Published - 1989
Externally published	Yes

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10.1039/C39890000772

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abstract = "Valence bond (VB) computations reveal that the difference between the SiH5- and CH5- title species does not derive from the hypervalency associated with d atomic orbitals, but rather from the ability of Si to utilize efficiently its σ*(Si-H) orbitals for bonding, much more so than C with the σ*(C-H) orbitals, so that SiH5- possesses two H-Si-H axial bonds vs. only one such bond for CH5-.",

author = "Gjergji Sini and Hiberty, \{Philippe C.\} and Shaik, \{Sason S.\}",

year = "1989",

doi = "10.1039/C39890000772",

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journal = "Chemical Communications",

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publisher = "Royal Society of Chemistry",

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AU - Hiberty, Philippe C.

AU - Shaik, Sason S.

PY - 1989

Y1 - 1989

N2 - Valence bond (VB) computations reveal that the difference between the SiH5- and CH5- title species does not derive from the hypervalency associated with d atomic orbitals, but rather from the ability of Si to utilize efficiently its σ*(Si-H) orbitals for bonding, much more so than C with the σ*(C-H) orbitals, so that SiH5- possesses two H-Si-H axial bonds vs. only one such bond for CH5-.

AB - Valence bond (VB) computations reveal that the difference between the SiH5- and CH5- title species does not derive from the hypervalency associated with d atomic orbitals, but rather from the ability of Si to utilize efficiently its σ*(Si-H) orbitals for bonding, much more so than C with the σ*(C-H) orbitals, so that SiH5- possesses two H-Si-H axial bonds vs. only one such bond for CH5-.

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The origins of the different bonding features in SiH₅ ^- and CH₅^-; A valence bond curve crossing model

Abstract

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