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Issue 15, 2003
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A chemical approach towards the spectroscopy of carboxylic acid dimer isomerism

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Abstract

The vibrational dynamics and hydrogen bond topology of excited isomers of carboxylic acid dimers is elucidated by an FTIR study of mixed acetic acid-methyl acetate clusters in supersonic jet expansions. The partial esterification prevents a second OH–O hydrogen bond in the dimer and replaces it by a weak CH–O contact. Vibrational transitions due to mixed acid-ester dimers are observed in the O–H, C[double bond, length as m-dash]O, and C–O stretching range. Similarities between the mixed dimer spectrum and weak bands in the spectrum of pure acetic acid clusters suggest a common hydrogen bond pattern for both species. It is the hydrogen bond pattern observed between two adjacent monomers in solid acetic acid. The conclusions are supported by quantum-chemical calculations.

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Publication details

The article was received on 07 Apr 2003, accepted on 16 Jun 2003 and first published on 01 Jul 2003


Article type: Paper
DOI: 10.1039/B303816E
Citation: Phys. Chem. Chem. Phys., 2003,5, 3094-3099

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    A chemical approach towards the spectroscopy of carboxylic acid dimer isomerism

    C. Emmeluth and M. A. Suhm, Phys. Chem. Chem. Phys., 2003, 5, 3094
    DOI: 10.1039/B303816E

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