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

Jian Wan; Chang Guo Zhan

doi:10.1080/10426500008040513

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

Jian Wan, Chang Guo Zhan

Pharmaceutical Sciences

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

2 Scopus citations

Abstract

A generalized relationship has been employed to correlate P=O and P=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=O and P=S bonds, respectively.

Original language	English
Pages (from-to)	67-85
Number of pages	19
Journal	Phosphorus, Sulfur and Silicon and Related Elements
Volume	157
DOIs	https://doi.org/10.1080/10426500008040513
State	Published - 2000

Bibliographical note

Funding Information:
* This project was supported by the Fundation of the State Education Commission of China. I Corresponding author. Present address: Pacific Northwest National Laboratory, Bat-telle-Northwest. Mailstop K2-21, Richland, WA 99352,U SA.

Keywords

Correlation analysis
Maximum bond order hybrid orbital
Organophosphorus compound
P=O bond stretching frequency
P=S bond stretching frequency

ASJC Scopus subject areas

Biochemistry
Organic Chemistry
Inorganic Chemistry

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10.1080/10426500008040513

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

abstract = "A generalized relationship has been employed to correlate P=O and P=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=O and P=S bonds, respectively.",

keywords = "Correlation analysis, Maximum bond order hybrid orbital, Organophosphorus compound, P=O bond stretching frequency, P=S bond stretching frequency",

author = "Jian Wan and Zhan, {Chang Guo}",

note = "Funding Information: * This project was supported by the Fundation of the State Education Commission of China. I Corresponding author. Present address: Pacific Northwest National Laboratory, Bat-telle-Northwest. Mailstop K2-21, Richland, WA 99352,U SA.",

year = "2000",

doi = "10.1080/10426500008040513",

language = "English",

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T1 - Generalized correlation of P=O and P=S bond stretching vibrational frequencies with electronic structure in organophosphorus compounds

AU - Wan, Jian

AU - Zhan, Chang Guo

N1 - Funding Information: * This project was supported by the Fundation of the State Education Commission of China. I Corresponding author. Present address: Pacific Northwest National Laboratory, Bat-telle-Northwest. Mailstop K2-21, Richland, WA 99352,U SA.

PY - 2000

Y1 - 2000

N2 - A generalized relationship has been employed to correlate P=O and P=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=O and P=S bonds, respectively.

AB - A generalized relationship has been employed to correlate P=O and P=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=O and P=S bonds, respectively.

KW - Correlation analysis

KW - Maximum bond order hybrid orbital

KW - Organophosphorus compound

KW - P=O bond stretching frequency

KW - P=S bond stretching frequency

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DO - 10.1080/10426500008040513

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SN - 1042-6507

VL - 157

SP - 67

EP - 85

JO - Phosphorus, Sulfur and Silicon and Related Elements

JF - Phosphorus, Sulfur and Silicon and Related Elements

ER -

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

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

Access to Document

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