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Raman study of the high-temperature phase transition of malonic acid

Villepin, De J and Limage, MH and Novak, A and Toupry, N and Postollec, Le M and Poulet, H and Ganguly, S and Rao, CNR (1984) Raman study of the high-temperature phase transition of malonic acid. In: Journal of Raman Spectroscopy, 15 (1). pp. 41-46.

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The Raman spectra of the high-temperature (\alpha ) phase of crystalline malonic acid, ${CH}_2{(COOH)}_2$, and its deuteriated derivative, ${CD}_2{(COOD)}_2$, have been investigated at 370 K in the wavenumber shift range 0-4000 cm-1. An assignment of the internal and external vibrations is given. Comparison of the infrared and Raman spectra of the \alpha and \beta phases shows that the high-temperature phase ( \alpha) consists of quivalent centrosymmetric dimer rings and that the corresponding space group is $C^5_{2h}- C2/c$ with molecules occupyging $C_2$ sites. The temperature dependence of various Raman lines, in particular those due to lattice modes, indicates that the phase transition is of first order and that during the transition, reorientation of the molecules about the c axis is strongly coupled with the low-frequency torsional ( \gamma OH.. .O) and librational modes.

Item Type: Journal Article
Publication: Journal of Raman Spectroscopy
Publisher: Wiley Heyden Ltd.
Additional Information: The copyright belongs to Wiley Heyden Ltd.
Keywords: raman spectra; wave number;phase transition;malonic acid
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 20 Sep 2005
Last Modified: 27 Aug 2008 11:28
URI: http://eprints.iisc.ac.in/id/eprint/3677

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