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Assignment of the low frequency modes of the catalytic surface modifier cinchonidine and its diastereomer cinchonine

Webb, SJ, Tomkinson, J and Dines, TJ (2011) Assignment of the low frequency modes of the catalytic surface modifier cinchonidine and its diastereomer cinchonine Vibrational Spectroscopy, 57 (1). pp. 116-125.

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Abstract

The surface modifier cinchonidine and its diastereomer cinchonine have been investigated and their vibrational spectra assigned, below 1000 cm−1. Scaled DFT ab initio calculations with PED assignments were in good agreement with neutron and optical vibrational spectroscopy. 4-Quinolinol, and quinuclidine hydrochloride were used as model compounds and their eigenvectors were compared with those of the parent molecules to aid in the assignments. This is the first low frequency assignment attempted on these systems and extends our understanding of the vibrations of the enantioselective promoters into regions not normally exploited by conventional spectroscopy.

Item Type: Article
Authors :
NameEmailORCID
Webb, SJsw0034@surrey.ac.ukUNSPECIFIED
Tomkinson, JUNSPECIFIEDUNSPECIFIED
Dines, TJUNSPECIFIEDUNSPECIFIED
Date : 12 June 2011
Identification Number : 10.1016/j.vibspec.2011.06.002
Uncontrolled Keywords : Vibrational spectroscopy, Neutron scattering, Quantum calculations, Potential energy distribution, Quniuclidine hydrochloride, 4-Quinolinol
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:16
Last Modified : 17 May 2017 12:16
URI: http://epubs.surrey.ac.uk/id/eprint/834679

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