Density functional theory study of the substituent effect on the structure, conformation and vibrational spectra in halosubstituted anilines-Reference-Cited by-同舟云学术

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

Published:2016 Issue:72 Volume:6 Page:67794-67804
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Haruna Kabiru¹²³⁴,Alenaizan Asem A.¹²³⁴,Al-Saadi Abdulaziz A.¹²³⁴

Affiliation:

1. Chemistry Department

2. King Fahd University of Petroleum and Minerals

3. Dhahran 31261

4. Saudi Arabia

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.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA11908E

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