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

Jian Wan, Chang Guo Zhan

Research output: Contribution to journalArticlepeer-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 languageEnglish
Pages (from-to)67-85
Number of pages19
JournalPhosphorus, Sulfur and Silicon and Related Elements
Volume157
DOIs
StatePublished - 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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