Origins of and Contributing Factors to H-Bonding. Implications for Protein Structure

20^th February 2025, 14:00
Steve Scheiner
Utah State University, US

Abstract

The fundamental origin of the H-bond will be reviewed, including the contributing factors and how they influence the strength of the bond. The way in which electrostatics, charge transfer, dispersion, and exchange repulsion are affected by geometrical aspects of the bond will be explored. The manifestations of the presence of a H-bond, both experimental and theoretical, will be delineated. Also discussed will be the effects of chemical substituents on bond strength and the hybridization of the donor and acceptor atoms. The lower range of H-bond strength will be probed including the ability of the CH group to participate in H-bonds. The presentation will primarily focus on the H-bonds that might be expected within proteins, and their interactions with other molecules. Recommended papers for reading:
New ideas from an old concept: the hydrogen bond,
Forty years of progress in the study of the hydrogen bond,
An Updated Description of the Hydrogen Bond and Related Noncovalent Bonds.