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Published October 1, 2020 | public
Journal Article

Solvent Effects on Methane ¹J(C13,H), ¹H Chemical Shift and ¹³C-¹H Isotope Shift

Abstract

The three methane NMR parameters ¹J(¹³C,H), ¹H chemical shift and ¹³C-¹H isotope shift have been measured in a set of solvents and D₂O at ambient pressure and 21°C. Although the magnitude the chemical shifts changes are significant, changes of the other two parameters are small. These result bear on the selection of reference molecules for establishing correlations between molecular structure and NMR parameters. After considering the properties of the various solvents, where known, no significant correlations were evident. The values of the ¹³C-¹H isotope shift reported here agree with current theory.

Additional Information

© 2020 Published by Elsevier Ltd. Received 12 November 2019, Revised 21 June 2020, Accepted 22 June 2020, Available online 28 July 2020.

Additional details

Created:
August 19, 2023
Modified:
October 20, 2023