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

Chemical Communications Pub Date: 2016-01-15 DOI: 10.1039/C5CC10509A

Abstract

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

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