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

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.