Fourier Transform Infrared and FT-Raman Spectra, Assignment, ab initio, DFT and Normal to-Ordinate Analysis of 2-chloro-4- methylaniline and 2-chloro-6-methylaniline

摘要

Hormonic force fields of polyatomic molecules play a vital role in the interpretation of vibrational spectra and in the prediction of other vibrational properties. Aniline and its derivatives have been widely used as starting materials in a vast amount of chemicals, pharmaceuticals, dyes, electro-optical and many other industrial processes. The conducting polymer of aniline namely polyaniline is used in microelectronic devices as diodes and transistors. The understanding of their structure, molecular properties as well as nature of reaction mechanism they undergo has great importance and has been the subject of many experimental and theoretical studies. A systematic study on the vibrational spectra of simple primary, secondary and tertiary amines received considerable attention in the spectroscopic literature in view of their obvious importance to biological systems and industrial significance.