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Where is the hidden intramolecular H-bonding vibrational signal in the proline matrix IR spectrum?

Authors :
Langford, James
Zhang, Yuzhe
Chen, Zehua
Yang, Yang
Source :
Journal of Chemical Physics. 10/7/2024, Vol. 161 Issue 13, p1-7. 7p.
Publication Year :
2024

Abstract

The assignment of the hydrogen bonded O–H stretch vibration in the proline matrix IR spectrum has sparked controversy. Employing constrained nuclear electronic orbital methods, we provide a clear assignment that the vibrational frequency drops to near 3000 cm−1 as a result of the interplay between electronic effects, nuclear quantum effects, and matrix effects. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
161
Issue :
13
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
180155604
Full Text :
https://doi.org/10.1063/5.0226184