TY - JOUR
T1 - Maximum bond order hybrid orbital calculations of the S=O stretching frequencies for sulphuryl and thionyl compounds
AU - Xiong, Ying
AU - Zhan, Chang Guo
PY - 1999
Y1 - 1999
N2 - A new generalized relationship, which includes the contributions of the net atomic charges and the orbital characters of the hybrid atomic orbitals forming the S=O bond, is employed to elucidate the S=O bond stretching vibrational frequencies based on the maximum bond order hybrid orbital calculations. The S=O stretching frequencies calculated by using the explicit relationship obtained are in good agreement with the corresponding experimental frequencies.
AB - A new generalized relationship, which includes the contributions of the net atomic charges and the orbital characters of the hybrid atomic orbitals forming the S=O bond, is employed to elucidate the S=O bond stretching vibrational frequencies based on the maximum bond order hybrid orbital calculations. The S=O stretching frequencies calculated by using the explicit relationship obtained are in good agreement with the corresponding experimental frequencies.
KW - Atomic orbitals
KW - Bonal order
KW - Bond stretching
KW - Orbital calculations
KW - S=O bond
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U2 - 10.1080/10426509908037023
DO - 10.1080/10426509908037023
M3 - Article
AN - SCOPUS:0033234124
SN - 1042-6507
VL - 149
SP - 65
EP - 73
JO - Phosphorus, Sulfur and Silicon and Related Elements
JF - Phosphorus, Sulfur and Silicon and Related Elements
ER -