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...
Main Authors: | Ilya G. Shenderovich, Gleb S. Denisov |
---|---|
Format: | Article |
Language: | English |
Published: |
MDPI AG
2020-01-01
|
Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/25/3/436 |
Similar Items
-
Modeling of Solute–Solvent Interactions Using an External Electric Field—From Tautomeric Equilibrium in Nonpolar Solvents to the Dissociation of Alkali Metal Halides
by: Ilya G. Shenderovich, et al.
Published: (2021-02-01) -
1,3,5-Triaza-7-Phosphaadamantane (PTA) as a <sup>31</sup>P NMR Probe for Organometallic Transition Metal Complexes in Solution
by: Ilya G. Shenderovich
Published: (2021-03-01) -
Modeling of the Response of Hydrogen Bond Properties on an External Electric Field: Geometry, NMR Chemical Shift, Spin-Spin Scalar Coupling
by: Ilya G. Shenderovich, et al.
Published: (2021-08-01) -
NMR Properties of the Cyanide Anion, a Quasisymmetric Two-Faced Hydrogen Bonding Acceptor
by: Ilya G. Shenderovich, et al.
Published: (2021-07-01) -
An NMR Spectroscopy Study on the Exchangeable Protons and Hydrogen Bonds in Tetracycline Hydrochloride
by: Jin-hua XIE, et al.
Published: (2021-09-01)