A comparative vibrational and NMR study of cis-cinnamic acid polymorphs and trans-cinnamic acid

The IR and Raman spectra of the two polymorphic forms (58°- and 68°-forms) of cis-cinnamic acid were measured, and the spectral differences discussed on the basis of the crystal structures of the two forms. The IR bands related to the COOH group differ in the frequencies and band shape, reflecting d...

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Veröffentlicht in:	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2001-03, Vol.57 (3), p.513-519
Hauptverfasser:	Hanai, Kazuhiko, Kuwae, Akio, Takai, Takatomo, Senda, Hitoshi, Kunimoto, Ko-Ki
Format:	Artikel
Sprache:	eng
Schlagworte:	Cinnamates - chemistry cis-Cinnamic acid Crystallization IR/Raman spectra Magnetic Resonance Spectroscopy Molecular Conformation NMR spectra Polymorphism Solutions Spectrophotometry, Infrared Spectrum Analysis, Raman Stereoisomerism trans-Cinnamic acid
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Zusammenfassung:	The IR and Raman spectra of the two polymorphic forms (58°- and 68°-forms) of cis-cinnamic acid were measured, and the spectral differences discussed on the basis of the crystal structures of the two forms. The IR bands related to the COOH group differ in the frequencies and band shape, reflecting differences in the hydrogen bonding between the two modifications. These spectra were compared with those of trans-cinnamic acid. The IR, Raman, and NMR spectra of the isotopic compounds, including the deuterated and 13C analogs of the cis and trans acids, were also recorded in the solid state and in solution to confirm the spectral assignments.
ISSN:	1386-1425
DOI:	10.1016/S1386-1425(00)00401-7