Vibrational circular dichroism in the CH stretching region of (+)-3(R)-methylcyclohexanone and chiral deuteriated isotopomers
The CH stretching Raman, FTIR, and vibrational circular dichroism (VCD) spectra of 3(R)-methylcyclohexanone and its chiral 2,2,6,6-d/sub 4/, 4,4-d/sub 2/, 5,5-d/sub 2/ and methyl-d/sub 3/ isotopomers, and the Raman and FTIR spectra of racemic 3-methylcyclohexanone-3-d/sub 1/ are presented and analyzed. Fourier self-deconvolution has been applied to the FTIR spectra to artificially enhance the resolution in order to determine individual band frequencies. Band assignments have been obtained on the basis of the spectra changes occurring due to selective deuteriation and from an analysis of the strong Fermi resonance interactions. The VCD spectral features of the five chiral isotopomers can all be understood in terms of the coupling of pairs of chirally oriented CH oscillators on adjacent carbon atoms and the removal of the degeneracy in the methyl modes.
- Research Organization:
- Syracuse Univ., NY (USA)
- OSTI ID:
- 5353218
- Journal Information:
- J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 110:3; ISSN JACSA
- Country of Publication:
- United States
- Language:
- English
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ABSORPTION SPECTROSCOPY
DATA
DEUTERIUM
DEUTERIUM COMPOUNDS
DICHROISM
ENERGY LEVELS
EXCITED STATES
EXPERIMENTAL DATA
FOURIER TRANSFORM SPECTROMETERS
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
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ISOMERS
ISOTOPE EFFECTS
ISOTOPES
KETONES
LASER SPECTROSCOPY
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MAGNETIC CIRCULAR DICHROISM
MEASURING INSTRUMENTS
NORMAL-MODE ANALYSIS
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
RAMAN SPECTROSCOPY
SPECTROMETERS
SPECTROSCOPY
STABLE ISOTOPES
VIBRATIONAL STATES