TY - JOUR
T1 - The origins of the different bonding features in SiH5 - and CH5-; A valence bond curve crossing model
AU - Sini, Gjergji
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-.
UR - http://www.scopus.com/inward/record.url?scp=37049067235&partnerID=8YFLogxK
U2 - 10.1039/C39890000772
DO - 10.1039/C39890000772
M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???
AN - SCOPUS:37049067235
SN - 0022-4936
SP - 772
EP - 774
JO - Chemical Communications
JF - Chemical Communications
IS - 12
ER -