Molecular structure, aromaticity, vibrational investigation and dual descriptor for chemical reactivity on 1- chloroisoquinoline using quantum chemical studies

To carry out a detailed spectroscopic vibrational analysis of heteroatom molecule 1-Chloroisoquinoline (1CIQ), FT-IR and FT-Raman spectra have been recorded in the solid state phase. A detailed interpretation of vibrational wave numbers along with potential energy distribution were obtained theoreti...

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Bibliographic Details

Main Authors:	V. Vidhya, A. Austine, M. Arivazhagan
Format:	Artigo
Language:	Inglês
Published:	Elsevier 2020-06-01
Series:	Results in Materials
Subjects:	FT-IR & Raman spectra HOMA Index Multiphilic descriptor Hyperpolarizability
Online Access:	http://www.sciencedirect.com/science/article/pii/S2590048X2030039X
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