Vibrational frequencies and structural determination of tetraiododiphosphine
1US Army Edgewood Chemical and Biological Center, AMSSB-RRT-DP, Aberdeen Proving Ground, MD 21010-5424, USA. jim.jensen@us.army.mil
Abstract:
The normal mode frequencies and corresponding vibrational assignments of of tetraiododiphosphine in C2h symmetry are examined theoretically using the Gaussian 98 set of quantum chemistry codes. All normal modes were successfully assigned to one of six types of motion (P-I stretch, P-P stretch, PI2 scissors, PI2 twist, PI2 wag, and PI2 rock) predicted by a group theoretical analysis. Computed vibrational frequencies are with IR and Raman spectra available in the literature, and uniform scaling factors are derived. Theoretical IR and Raman intensities are reported.
More Related Videos
08:46Preparation and Reactivity of a Triphosphenium Bromide Salt: A Convenient and Stable Source of Phosphorus(I)
Published on: November 22, 2016
10:52Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
Related Concept Videos
Predicting Molecular Geometry
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to the...
Hybridization of Atomic Orbitals II
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
VSEPR Theory and the Basic Shapes
