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

Jian Wan, Chang Guo Zhan

Producción científica: Articlerevisión exhaustiva

6 Citas (Scopus)

Resumen

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.

Idioma originalEnglish
Páginas (desde-hasta)1665-1669
Número de páginas5
PublicaciónSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volumen51
N.º10
DOI
EstadoPublished - sept 1995

ASJC Scopus subject areas

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

Huella

Profundice en los temas de investigación de 'Maximum bond order hybrid orbital calculations of the P=S stretching frequencies for organophosphorus compounds'. En conjunto forman una huella única.

Citar esto