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Where is the hidden intramolecular H-bonding vibrational signal in the proline matrix IR spectrum?
- 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]
- Subjects :
- *POLAR effects (Chemistry)
*MATRIX effect
*HYDROGEN bonding
*PROLINE
Subjects
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