Determination of Absolute Configuration Using Vibrational Circular Dichroism Spectroscopy:  The Chiral Sulfoxide 1-(2-methylnaphthyl) Methyl Sulfoxide

We report the determination of the absolute configuration (AC) of the chiral sulfoxide, 1-(2-methylnaphthyl) methyl sulfoxide, 1, using vibrational circular dichroism (VCD) spectroscopy. The VCD of 1 has been measured in the mid-IR spectral region in CCl4 solution. Analysis employs the ab initio DFT...

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Published in:Journal of organic chemistry 2001-06, Vol.66 (11), p.3671-3677
Main Authors: Stephens, P. J, Aamouche, A, Devlin, F. J, Superchi, S, Donnoli, M. I, Rosini, C
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container_issue 11
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container_title Journal of organic chemistry
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creator Stephens, P. J
Aamouche, A
Devlin, F. J
Superchi, S
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Rosini, C
description We report the determination of the absolute configuration (AC) of the chiral sulfoxide, 1-(2-methylnaphthyl) methyl sulfoxide, 1, using vibrational circular dichroism (VCD) spectroscopy. The VCD of 1 has been measured in the mid-IR spectral region in CCl4 solution. Analysis employs the ab initio DFT/GIAO methodology. DFT calculations predict two stable conformations of 1, E and Z, Z being lower in energy than E by
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title Determination of Absolute Configuration Using Vibrational Circular Dichroism Spectroscopy:  The Chiral Sulfoxide 1-(2-methylnaphthyl) Methyl Sulfoxide
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