<sup>31</sup>P spin–lattice and singlet order relaxation mechanisms in pyrophosphate studied by isotopic substitution, field shuttling NMR, and molecular dynamics simulation-Reference-Cited by-同舟云学术

³¹P spin–lattice and singlet order relaxation mechanisms in pyrophosphate studied by isotopic substitution, field shuttling NMR, and molecular dynamics simulation

Published:2022 Issue:39 Volume:24 Page:24238-24245
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Korenchan David E.¹^ORCID,Lu Jiaqi¹^ORCID,Sabba Mohamed²^ORCID,Dagys Laurynas²^ORCID,Brown Lynda J.²,Levitt Malcolm H.²^ORCID,Jerschow Alexej¹^ORCID

Affiliation:

1. Department of Chemistry, New York University, 100 Washington Square E, New York, NY 10003, USA

2. School of Chemistry, University of Southampton, Southampton SO17 1BJ, UK

Abstract

31P NMR spectroscopy of unsymmetrically 18O labeled pyrophosphate and molecular dynamics simulations reveal a low-field limit to longitudinal and singlet order relaxation, arising from spin rotation of the phosphate moieties.

Funder

Marie Sklodowska-Curie Actions

Heising-Simons Foundation

Queen Elizabeth Diamond Jubilee Trust

Engineering and Physical Sciences Research Council

National Science Foundation

European Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP03801C

Reference59 articles.

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2. Prediction of low-field nuclear singlet lifetimes with molecular dynamics and quantum-chemical property surface

3. Molecular dynamics simulation of nuclear spin relaxation of 7Li+ in water

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