| Formic and acetic acids in a nitrogen matrix: Enhanced stability of the higher-energy conformer. | |
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MedLine Citation:
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PMID: 20950017 Owner: NLM Status: In-Process |
Abstract/OtherAbstract:
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Formic acid (HCOOH, FA) and acetic acid (CH(3)COOH, AA) are studied in a nitrogen matrix. The infrared (IR) spectra of cis and trans conformers of these carboxylic acids (and also of the HCOOD isotopologue of FA) are reported and analyzed. The higher-energy cis conformer of these molecules is produced by narrowband near-IR excitation of the more stable trans conformer, and the cis-to-trans tunneling decay is evaluated spectroscopically. The tunneling process in both molecules is found to be substantially slower in a nitrogen matrix than in rare-gas matrices, the cis-form decay constants being approximately 55 and 600 times smaller in a nitrogen matrix than in an argon matrix, for FA and AA respectively. The stabilization of the higher-energy cis conformer is discussed in terms of specific interactions with nitrogen molecule binding with the OH group of the carboxylic acid. This model is in agreement with the observed differences in the IR spectra in nitrogen and argon matrices, in particular, the relative frequencies of the νOH and τCOH modes and the relative intensities of the νOH and νC=O bands. |
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Authors:
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Susy Lopes; Alexandra V Domanskaya; Rui Fausto; Markku Räsänen; Leonid Khriachtchev |
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Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: The Journal of chemical physics Volume: 133 ISSN: 1089-7690 ISO Abbreviation: J Chem Phys Publication Date: 2010 Oct |
Date Detail:
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Created Date: 2010-10-18 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0375360 Medline TA: J Chem Phys Country: United States |
Other Details:
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Languages: eng Pagination: 144507 Citation Subset: - |
Affiliation:
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Department of Chemistry, University of Coimbra, Rua Larga, P-3004-535 Coimbra, Portugal. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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