Article
The Interplay Between Charge Transfer, Rehybridization, and Atomic Charges in the Internal Geometry of Subunits in Noncovalent Interactions
International Journal of Quantum Chemistry
Document Type
Article
Publication Date
9-12-2014
Publisher
John Wiley & Sons, Inc.
Disciplines
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.
Citation Information
Scheiner, S. I. (2015). The Interplay between Charge Transfer, Rehybridization, and Atomic Charges in the Internal Geometry of Subunits in Noncovalent Interactions. Int. J. Quantum Chem., 115, 28-33.
This is the peer reviewed version of the following article: Scheiner, S. I. (2015). The Interplay between Charge Transfer, Rehybridization, and Atomic Charges in the Internal Geometry of Subunits in Noncovalent Interactions. Int. J. Quantum Chem., 115, 28-33., which has been published in final form at https://doi.org/10.1002/qua.24789. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions.