Adduct under Field—A Qualitative Approach to Account for Solvent Effect on Hydrogen Bonding

The location of a mobile proton in acid-base complexes in aprotic solvents can be predicted using a simplified Adduct under Field (AuF) approach, where solute−solvent effects on the geometry of hydrogen bond are simulated using a fictitious external electric field. The parameters of the fi...

Full description

Bibliographic Details
Main Authors: Ilya G. Shenderovich, Gleb S. Denisov
Format: Article
Language:English
Published: MDPI AG 2020-01-01
Series:Molecules
Subjects:
nmr
Online Access:https://www.mdpi.com/1420-3049/25/3/436