Components of the interaction energy of the odd-electron halogen bond: an ab initio study-Reference-Cited by-同舟云学术

Components of the interaction energy of the odd-electron halogen bond: an ab initio study

Published:2020 Issue:27 Volume:22 Page:15389-15400
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Bandyopadhyay Prasanta¹²³⁴^ORCID,Seikh Md. Motin¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry

2. Visva-Bharati

3. Santiniketan-731235

4. India

Abstract

The odd-electron halogen bond offers a fertile ground to explore the nature of non-covalent interactions. The regioselectivity, interaction energy and its components were analyzed by conceptual DFT parameters, NCI plot and LED-DLPNO-CCSD(T) analysis.

Funder

Department of Science and Technology, Ministry of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02619K

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