Skip to Main Content
Temperature dependence of (+)-catechin pyran ring proton coupling constants as measured by NMR and modeled using GMMX search methodologyAuthor(s): Fred L. Tobiason; Stephen S. Kelley; M. Mark Midland; Richard W. Hemingway
Source: Tetrahedron Letters. 38(6): 985-988.
Publication Series: Miscellaneous Publication
PDF: View PDF (141 KB)
DescriptionThe pyran ring proton coupling constants for (+)-catechin have been experimentally determined in deuterated methanol over a temperature range of 213 K to 313 K. The experimental coupling constants were simulated to 0.04 Hz on the average at a 90 percent confidence limit using a LAOCOON method. The temperature dependence of the coupling constants was reproduced from the Boltzmann distribution of the conformational ensemble generated by the GMMX searching program.
- You may send email to firstname.lastname@example.org to request a hard copy of this publication.
- (Please specify exactly which publication you are requesting and your mailing address.)
- We recommend that you also print this page and attach it to the printout of the article, to retain the full citation information.
- This article was written and prepared by U.S. Government employees on official time, and is therefore in the public domain.
CitationTobiason, Fred L.; Kelley, Stephen S.; Midland, M. Mark; Hemingway, Richard W. 1997. Temperature dependence of (+)-catechin pyran ring proton coupling constants as measured by NMR and modeled using GMMX search methodology. Tetrahedron Letters. 38(6): 985-988.
- Residence times and decay rates of downed woody debris biomass/carbon in eastern US forests
- Anisotropy and temperature dependence of structural, thermodynamic, and elastic properties of crystalline cellulose Iβ: a first-principles investigation
- From laboratory corrosion tests to a corrosion lifetime for wood fasteners : progress and challenges
XML: View XML