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Quantitative Comparison of Experimental Infrared and Raman Optical Activity Spectra

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Abstract:

Infrared vibrational circular dichroism (VCD) and vibrational Raman optical activity (ROA) have been measured and compared quantitatively over the frequency range from 835 to 1345 cm-1 for trans-pinane, cis-pinane, α-pinene, and β-pinene. For these molecules in this region of spectral overlap between VCD and ROA, the average ratio of VCD or ROA to its parent vibrational intensity favors ROA by a factor of two to three. Several vibrational modes in each molecule yield both large VCD and large ROA, while several other modes show little propensity toward significant VCD or ROA intensity. Beyond this general property of a few strongly chiral and strongly achiral vibrational modes, little additional correlation between VCD and ROA intensity is found. This quantitative compilation of VCD, infrared, ROA, and Raman intensities provides an experimental basis for computational intensity studies of VCD, ROA, and their theoretical comparison.

Keywords: Infrared vibrational circular dichroism; Raman optical activity; Vibrational optical activity

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/0003702963905970

Affiliations: Department of Chemistry, Syracuse University, Syracuse, New York 13244-4100

Publication date: May 1, 1996

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