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

C. R. Jones, M. D. Greenhalgh, J. R. Bame, T. J. Simpson, R. J. Cox, J. W. Marshall, C. P. Butts*

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

13 Citations (Scopus)
276 Downloads (Pure)

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.
Original languageEnglish
Pages (from-to)2920-2923
Number of pages4
JournalChemical Communications
Volume52
Issue number14
Early online date15 Jan 2016
DOIs
Publication statusPublished - 18 Feb 2016

Structured keywords

  • BCS and TECS CDTs

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