Maximum bond order hybrid orbital calculations of the P=S stretching frequencies for organophosphorus compounds

Jian Wan, Chang Guo Zhan

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

A novel, generalized correlation of the characteristic stretching frequencies with the atomic hybrids and net charges is employed to give a new, explicit relationship for calculating the P=S stretching frequencies by the use of the maximum bond order hybrid orbital procedure together with the extended Hückel molecular orbital calculation. The calculated numerical results show that the new relationship obtained in the present paper is quite satisfactory for the calculation of the characteristic P=S stretching frequencies for organophosphorus compounds.

Original languageEnglish
Pages (from-to)1665-1669
Number of pages5
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume51
Issue number10
DOIs
StatePublished - Sep 1995

ASJC Scopus subject areas

  • Analytical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Spectroscopy

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