Influence of an Oriented External Electric Field on the Mechanism of Double Proton Transfer between Pyrazole and Guanidine: from an Asynchronous Plateau Transition State to a Synchronous or Stepwise Mechanism-Reference-Cited by-同舟云学术

Influence of an Oriented External Electric Field on the Mechanism of Double Proton Transfer between Pyrazole and Guanidine: from an Asynchronous Plateau Transition State to a Synchronous or Stepwise Mechanism

Published:2022-05-11 Issue:20 Volume:126 Page:3057-3071
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Geoffroy-Neveux Antoine¹,Labet Vanessa¹^ORCID,Alikhani M. Esmail¹^ORCID

Affiliation:

1. MONARIS UMR 8233 CNRS, Sorbonne Université, 4 place Jussieu, 75252 Paris Cedex 05, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c10553

Reference116 articles.

1. Field effects on dihydrogen bonded systems

2. Theoretical Study of the Influence of Electric Fields on Hydrogen-Bonded Acid−Base Complexes

3. Modeling of Solute-Solvent Interactions Using an External Electric Field—From Tautomeric Equilibrium in Nonpolar Solvents to the Dissociation of Alkali Metal Halides

4. Effects of external ions on the energetics of proton transfers across hydrogen bonds

5. Insights into acid dissociation of HCl and HBr with internal electric fields

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