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

Guzmán, Pablo E. and Roberts, John D. and Manatt, Stanley L. (2020) Solvent Effects on Methane ¹J(C13,H), ¹H Chemical Shift and ¹³C-¹H Isotope Shift. Polyhedron, 189 . Art. No. 114689. ISSN 0277-5387.

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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.

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Additional Information:© 2020 Published by Elsevier Ltd. Received 12 November 2019, Revised 21 June 2020, Accepted 22 June 2020, Available online 28 July 2020.
Record Number:CaltechAUTHORS:20200728-121619947
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Official Citation:Pablo E. Guzmán, John D. Roberts, Stanley L. Manatt, Solvent effects on methane 1J(13C,H), 1H chemical shift and 13C–1H isotope shift, Polyhedron, Volume 189, 2020, 114689, ISSN 0277-5387, (
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:104605
Deposited By: Tony Diaz
Deposited On:28 Jul 2020 19:53
Last Modified:09 Sep 2020 16:17

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