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Generalized correlation of P=O and P=S bond stretching vibrational frequencies with electronic structure in organophosphorus compounds

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成果类型:
期刊论文
作者:
Wan, J;Zhan, CG*
通讯作者:
Zhan, CG
作者机构:
[Zhan, CG; Wan, J] Cent China Normal Univ, Dept Chem, Wuhan 430079, Peoples R China.
[Zhan, CG] Battelle NW, Pacific NW Natl Lab, Mailstop K2-21, Richland, WA 99352 USA.
通讯机构:
[Zhan, CG] B
Battelle NW, Pacific NW Natl Lab, Mailstop K2-21, Richland, WA 99352 USA.
语种:
英文
关键词:
P=O bond stretching frequency;P=S bond stretching frequency;maximum bond order hybrid orbital;correlation analysis;organophosphorus compound
期刊:
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
ISSN:
1042-6507
年:
2000
卷:
157
期:
1
页码:
67-85
机构署名:
本校为第一机构
院系归属:
化学学院
摘要:
Abstract A generalized relationship has been employed to correlate P[dbnd]O and P[dbnd]S bond stretching frequencies with molecular electronic structures for organophosphorus compounds. The calculated results are in good agreement with the available experimental data. The standard deviations are only 3.7 and 5.4 cm−1 for the P[d...

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