Study of the P(4)O(7), P(4)O(6)S, and P(4)O(6)Se Vibrational Spectra
Related Experiment Video
Updated: Oct 3, 2026

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of Chalcogenidoplumbates(II or IV)
Published on: December 29, 2016
A. R. S. Valentim1, B. Engels, S. Peyerimhoff
1Institute of Inorganic Chemistry, Bonn University, Gerhard-Domagk-Strasse 1, D-53121 Bonn, Germany.
Abstract:
The theoretical vibrational spectra of P(4)O(6)X (X = O, S, and Se) molecules are determined by employing the Hartree-Fock method in combination with a basis set of double-zeta quality plus polarization functions. A comparison of the three spectra is undertaken, and the shifts of the vibrational frequencies found in the spectra are analyzed. Two effects are considered to explain the changes in the band positions: the mass effect due to the replacement of oxygen by sulfur and selenium, respectively, and the bond strength effect. The mass effect of the substituent is as important as the different bond strengths of the P(V)=X bonds. Previous assignments of the bands in the P(4)O(7) spectrum are also corrected by the theoretical research, and a new correlation among the experimental vibrational spectra of the three compounds is put forth. Newly performed Raman polarization measurements confirm our theoretical findings.
More Related Videos
09:00Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
Published on: June 28, 2018
08:54Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on: January 25, 2020
Related Concept Videos
IR Spectroscopy: Molecular Vibration Overview
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations
Molecular Orbital Theory II
UV–Vis Spectroscopy: Molecular Electronic Transitions
Molecular Spectroscopy: Absorption and Emission
UV–Vis Spectroscopy: Woodward–Fieser Rules