skip to main content


Title: Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium–Ligand Bonds
Award ID(s):
1900086
NSF-PAR ID:
10250246
Author(s) / Creator(s):
; ; ; ; ; ;
Date Published:
Journal Name:
The Journal of Physical Chemistry A
Volume:
124
Issue:
47
ISSN:
1089-5639
Page Range / eLocation ID:
9757 to 9770
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. C–H hydrogen bonds to iodine halogen bond donors are shown to improve halogen bonding and molecular preorganization. 
    more » « less
  2. Abstract

    Hydrogen bonding principles are at the core of supramolecular design. This overview features a discussion relating molecular structure to hydrogen bond strengths, highlighting the following electronic effects on hydrogen bonding: electronegativity, steric effects, electrostatic effects, π‐conjugation, and network cooperativity. Historical developments, along with experimental and computational efforts, leading up to the birth of the hydrogen bond concept, the discovery of nonclassical hydrogen bonds (CH…O, OH…π, dihydrogen bonding), and the proposal of hydrogen bond design principles (e.g., secondary electrostatic interactions, resonance‐assisted hydrogen bonding, and aromaticity effects) are outlined. Applications of hydrogen bond design principles are presented.

    This article is categorized under:

    Structure and Mechanism > Molecular Structures

    Structure and Mechanism > Reaction Mechanisms and Catalysis

     
    more » « less