Conformational steering in dicarboxy acids: the native structure of succinic acid

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Jahn, Michaela K.; Mendez, Estibaliz; Nair, K. P. Rajappan; Godfrey, Peter D.; McNaughton, Don; Ecija, Patricia; Basterretxea, Francisco J.; Cocinero, Emilio J.; Grabow, Jens-Uwe: Conformational steering in dicarboxy acids: the native structure of succinic acid. In: Physical Chemistry Chemical Physics 17 (2015), Nr. 30, S. 19726-19734. DOI: http://dx.doi.org/10.1039/c4cp05905k

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Abstract: 
Succinic acid, a dicarboxylic acid molecule, has been investigated spectroscopically with computational support to elucidate the complex aspects of its conformational composition. Due to the torsional freedom of the carbon backbone and hydroxy groups, a large number of potentially plausible conformers can be generated with an indication that the gauche conformer is favored over the trans form. The microwave and millimeter wave spectra have been analyzed and accurate spectroscopic constants have been derived that correlate best with those of the lowest energy gauche conformer. For an unambiguous conformational identification measurements were extended to the monosubstituted isotopologues, precisely determining the structural properties. Besides bond distances and angles, particularly the dihedral angle has been determined to be 67.76(11)°, confirming the anomalous tendency of the methylene units to favor gauche conformers when a short aliphatic segment is placed between two carbonyl groups.
License of this version: Es gilt deutsches Urheberrecht. Das Dokument darf zum eigenen Gebrauch kostenfrei genutzt, aber nicht im Internet bereitgestellt oder an Außenstehende weitergegeben werden. Dieser Beitrag ist aufgrund einer (DFG-geförderten) Allianz- bzw. Nationallizenz frei zugänglich.
Document Type: Article
Publishing status: publishedVersion
Issue Date: 2015-03-13
Appears in Collections:Naturwissenschaftliche Fakultät

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pos. country downloads
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1 image of flag of Germany Germany 597 85.65%
2 image of flag of United States United States 24 3.44%
3 image of flag of No geo information available No geo information available 15 2.15%
4 image of flag of China China 13 1.87%
5 image of flag of France France 5 0.72%
6 image of flag of Russian Federation Russian Federation 4 0.57%
7 image of flag of India India 4 0.57%
8 image of flag of United Kingdom United Kingdom 4 0.57%
9 image of flag of Netherlands Netherlands 3 0.43%
10 image of flag of Austria Austria 3 0.43%
    other countries 25 3.59%

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