Conformational equilibria in carboxylic acid bimolecules: a rotational study of acrylic acid―formic acid

The bimolecule acrylic acid-formic acid has been investigated by pulsed jet Fourier transform microwave spectroscopy. The complex adopts two different conformational shapes, according to the cis or trans forms of the acrylic acid moiety. The measurements have been extended to four deuterated and to...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2013-02, Vol.15 (8), p.2917-2922
Main Authors: GANG FENG, QIAN GOU, EVANGELISTI, Luca, ZHINING XIA, CAMINATI, Walther
Format: Article
Language:English
Subjects:
Acrylic acid
Biological and medical sciences
Carbon
Carboxylic acids
Chemistry
Conformational dynamics in molecular biology
Exact sciences and technology
Fourier transforms
Fundamental and applied biological sciences. Psychology
General and physical chemistry
Microwave spectroscopy
Molecular biophysics
Physical chemistry
Rotational
Transforms
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Summary:The bimolecule acrylic acid-formic acid has been investigated by pulsed jet Fourier transform microwave spectroscopy. The complex adopts two different conformational shapes, according to the cis or trans forms of the acrylic acid moiety. The measurements have been extended to four deuterated and to four (13)C (natural abundance) species, and their combinations, for each conformer. These data allowed us to determine the carbon skeleton structures and to size quantitatively the structural effect caused by the OH → OD isotopic substitutions (the Ubbelohde effect).
ISSN:1463-9076
1463-9084
DOI:10.1039/c2cp44131d