Dimers of the Higher-Energy Conformer of Formic Acid: Experimental Observation
Abstract
We report on the first experimental observation of formic acid dimers composed of two molecules of the higher-energy cis conformer. The cis–cis formic acid dimers are prepared in an argon matrix by selective vibrational excitation of the ground state trans conformer (deuterated form HCOOD) combined with thermal annealing of the matrix at about 30 K. Five cis–cis formic acid dimers are predicted by ab initio calculations (interaction energies from −16.9 to −27.2 kJ molˉ¹), and these structures are used for the assignment of the experimental spectra. Selective vibrational excitation of the obtained cis–cis dimers leads to the formation of several trans–cis dimers, which supports the proposed assignments.
Main Authors
Format
Articles
Research article
Published
2012
Series
Subjects
Publication in research information system
Publisher
ACS
The permanent address of the publication
https://urn.fi/URN:NBN:fi:jyu-201208142141Käytä tätä linkitykseen.
Review status
Peer reviewed
ISSN
1089-5639
DOI
https://doi.org/10.1021/jp209714e
Language
English
Published in
The Journal of Physical Chemistry A
Citation
- Marushkevich, K., Khriachtchev, L., Räsänen, M., Melavuori, M., & Lundell, J. (2012). Dimers of the Higher-Energy Conformer of Formic Acid: Experimental Observation. The Journal of Physical Chemistry A, 116(9), 2101-2108. https://doi.org/10.1021/jp209714e
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