A comparison of structure, bonding and non-covalent interactions of aryl halide and diarylhalonium halogen-bond donors

Halogen bonding permeates many areas of chemistry. A wide range of halogen-bond donors including neutral, cationic, monovalent, and hypervalent have been developed and studied. In this work we used density functional theory (DFT), natural bond orbital (NBO) theory, and quantum theory of atoms in mol...

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Bibliographic Details

Published in:	Beilstein Journal of Organic Chemistry
Main Authors:	Nicole Javaly, Theresa M. McCormick, David R. Stuart
Format:	Article
Language:	English
Published:	Beilstein-Institut 2024-06-01
Subjects:	aryl halide diarylhalonium halogen halogen bond non-covalent interaction
Online Access:	https://doi.org/10.3762/bjoc.20.125