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Publication - Professor Craig Butts

    Subtle temperature-induced changes in small molecule conformer dynamics-observed and quantified by NOE spectroscopy

    Citation

    Jones, CR, Greenhalgh, MD, Bame, JR, Simpson, TJ, Cox, RJ, Marshall, JW & Butts, CP, 2016, ‘Subtle temperature-induced changes in small molecule conformer dynamics-observed and quantified by NOE spectroscopy’. Chemical Communications, vol 52., pp. 2920-2923

    Abstract

    NOE–distance relationships are shown to be sufficiently accurateto monitor very small changes in conformer populations in response totemperature (<0.5%/10º8C) – in good agreement with Boltzmann-predictions,illustrating the effectiveness of accurate NOE–distancemeasurements in obtaining high quality dynamics as well as structuralinformation for small molecules.

    Full details in the University publications repository