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Royal Society of Chemistry, RSC Advances, 72(6), p. 67794-67804, 2016

DOI: 10.1039/c6ra11908e

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Density functional theory study of the substituent effect on the structure, conformation and vibrational spectra in halosubstituted anilines

Journal article published in 2016 by Kabiru Haruna, Asem A. Alenaizan ORCID, Abdulaziz A. Al-Saadi
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

A comparative density functional theory (DFT) study exploring the structural and spectroscopic properties of the complete set of halosubstituted anilines with the halogens being F, Cl and Br was carried out.