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Proceedings Paper

Vibrational circular dichroism of 1-amino-2-propanol and 2-amino-1-propanol: experiment and calculation
Author(s): Xinhua Qu; Mario J. Citra; N. Ragunathan; Teresa B. Freedman; Laurence A. Nafie
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Paper Abstract

The vibrational circular dichroism (VCD) spectra of (S)-1-amino-2-propanol and (S)-2-amino- 1-propanol in non-aqueous solution have been investigated. The vibrational frequencies, infrared intensities and VCD intensities have been calculated for all the hydrogen-bonded conformers with ab initio wave functions at a 6-31G(0.3) basis set level. The VCD intensities have been calculated with the vibronic coupling theory a priori formalism. Comparison of the experimental and calculated spectra allows correlation of the major VCD features with a few predominant conformers.

Paper Details

Date Published: 31 January 1994
PDF: 2 pages
Proc. SPIE 2089, 9th International Conference on Fourier Transform Spectroscopy, (31 January 1994); doi: 10.1117/12.166738
Show Author Affiliations
Xinhua Qu, Syracuse Univ. (United States)
Mario J. Citra, Syracuse Univ. (United States)
N. Ragunathan, Syracuse Univ. (United States)
Teresa B. Freedman, Syracuse Univ. (United States)
Laurence A. Nafie, Syracuse Univ. (United States)


Published in SPIE Proceedings Vol. 2089:
9th International Conference on Fourier Transform Spectroscopy
John E. Bertie; Hal Wieser, Editor(s)

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