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

Samuel J. Webb, Trevor J. Dines, John Tomkinson

    Research output: Contribution to journalArticle

    1 Citation (Scopus)

    Abstract

    The surface modifier cinchonidine and its diastereomer cinchonine have been investigated and their vibrational spectra assigned, below 1000 cm(-1). Scaled OFT 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. (C) 2011 Elsevier B.V. All rights reserved.

    Original languageEnglish
    Pages (from-to)116-125
    Number of pages10
    JournalVibrational Spectroscopy
    Volume57
    Issue number1
    DOIs
    Publication statusPublished - 16 Sep 2011

    Keywords

    • Vibrational spectroscopy
    • Neutron scattering
    • Quantum calculations
    • Potential energy distribution
    • Quniuclidine hydrochloride
    • 4-Quinolinol
    • DENSITY-FUNCTIONAL THEORY
    • SPECTRA
    • HYDROGENATION
    • NAPHTHALENE
    • PLATINUM

    Cite this