The interplay between charge transfer, rehybridization, and atomic charges in the internal geometry of subunits in noncovalent interactions
Year: 2014
Type: article
Abstract: When a noncovalent bond is formed, there is frequently some charge transfer from one subunit to the other. The interaction also causes changes in the atomic charges and hybridization patterns of bonding orbitals. The manner in which these various effects combine to cause elongations or contractions of bonds within the individual subunits is examined. In both the cases of CH···O H‐bonds and P···N pnicogen bonds, the bond length changes are consistent with the guiding principles generally known as Bent's rules. © 2014 Wiley Periodicals, Inc.
DOI: 10.1002/qua.24789
Author: Steve Scheiner
Institution: Utah State University
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W2080376770