Systematic analysis of electronic barrier heights and widths for concerted proton transfer in cyclic hydrogen bonded clusters: (HF)n, (HCl)n and (H2O)n where n = 3, 4, 5-Reference-Cited by-同舟云学术

Systematic analysis of electronic barrier heights and widths for concerted proton transfer in cyclic hydrogen bonded clusters: (HF)_n, (HCl)_n and (H₂O)_n where n = 3, 4, 5

Published:2024 Issue:16 Volume:26 Page:12483-12494
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Xue Yuan¹^ORCID,Sexton Thomas More²^ORCID,Yang Johnny¹^ORCID,Tschumper Gregory S.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, University of Mississippi, University, MS 38677-1848, USA

2. School of Arts and Sciences, Chemistry University of Mary, Bismark, ND 58504, USA

Abstract

Strong correlations identified between barrier heights/widths for concerted proton transfer in cyclic hydrogen bonded clusters and properties of minima (dissociation energies/frequency shifts).

Funder

Division of Chemistry

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP00422A

Reference140 articles.

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3. Multiple Proton-Transfer Reactions in DNA Base Pairs by Coordination of Pt Complex

4. Assessing the Importance of Proton Transfer Reactions in DNA

5. Atom Tunneling in Chemistry

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