Temperature and HD Isotopic Effects in the IR Spectra of the Hydrogen Bond in Solid-State 2-Furanacetic Acid and 2-Furanacrylic Acid
Joint Authors
Jarczyk-Jędryka, Anna
Flakus, Henryk T.
Source
Journal of Atomic, Molecular, and Optical Physics
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-17, 17 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-09-11
Country of Publication
Egypt
No. of Pages
17
Main Subjects
Abstract EN
Polarized IR spectra of 2-furanacetic acid and of 2-furanacrylic acid crystals were measured at 293 K and 77 K in the vO−H and vO−H band frequency ranges.
The corresponding spectra of the two individual systems strongly differ, one from the other, by the corresponding band shapes as well as by the temperature effect characterizing the bands.
The crystal spectral properties remain in a close relation with the electronic structure of the two different molecular systems.
We show that a vibronic coupling mechanism involving the hydrogen bond protons and the electrons on the π-electronic systems in the molecules determines the way in which the vibrational exciton coupling between the hydrogen bonds in the carboxylic acid dimers occurs.
A strong coupling in 2-furanacrylic acid dimers prefers a “tail-to-head-” type Davydov coupling widespread by the π-electrons.
A weak through-space coupling in 2-furanacetic acid dimers is responsible for a “side-to-side-” type coupling.
The relative contribution of each exciton coupling mechanism in the dimer spectra generation is temperature and the molecular electronic structure dependent.
This explains the observed difference in the temperature-induced evolution of the compared spectra.
American Psychological Association (APA)
Flakus, Henryk T.& Jarczyk-Jędryka, Anna. 2012. Temperature and HD Isotopic Effects in the IR Spectra of the Hydrogen Bond in Solid-State 2-Furanacetic Acid and 2-Furanacrylic Acid. Journal of Atomic, Molecular, and Optical Physics،Vol. 2012, no. 2012, pp.1-17.
https://search.emarefa.net/detail/BIM-447617
Modern Language Association (MLA)
Flakus, Henryk T.& Jarczyk-Jędryka, Anna. Temperature and HD Isotopic Effects in the IR Spectra of the Hydrogen Bond in Solid-State 2-Furanacetic Acid and 2-Furanacrylic Acid. Journal of Atomic, Molecular, and Optical Physics No. 2012 (2012), pp.1-17.
https://search.emarefa.net/detail/BIM-447617
American Medical Association (AMA)
Flakus, Henryk T.& Jarczyk-Jędryka, Anna. Temperature and HD Isotopic Effects in the IR Spectra of the Hydrogen Bond in Solid-State 2-Furanacetic Acid and 2-Furanacrylic Acid. Journal of Atomic, Molecular, and Optical Physics. 2012. Vol. 2012, no. 2012, pp.1-17.
https://search.emarefa.net/detail/BIM-447617
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-447617