One-bond 13C–13C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state 13C NMR and X-ray crystallography-Reference-Cited by-同舟云学术

One-bond ¹³C–¹³C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state ¹³C NMR and X-ray crystallography

Published:2023 Issue:23 Volume:25 Page:16048-16059
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Tetrault Timothy¹,Meredith Reagan J.¹,Yoon Mi-Kyung¹²,Canizares Christopher¹,Oliver Allen G.³,Carmichael Ian⁴,Serianni Anthony S.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556-5670, USA

2. Omicron Biochemicals, Inc., South Bend, IN 46617, USA

3. Molecular Structure Facility, University of Notre Dame, Notre Dame, IN 46556-5670, USA

4. Radiation Laboratory, University of Notre Dame, Notre Dame, IN 46556-5670, USA

Abstract

The dependence of calculated 1JC1,C2 values on the C1–C2–O2–H torsion angles θ2 in several methyl aldohexopyranosides.

Funder

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP05363B

Reference71 articles.

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4. Contact Electron‐Spin Coupling of Nuclear Magnetic Moments

5. Vicinal Proton Coupling in Nuclear Magnetic Resonance

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