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.
|Number of pages
|Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
|Published - Sep 1995
ASJC Scopus subject areas
- Analytical Chemistry
- Atomic and Molecular Physics, and Optics