Proline ring conformations corresponding to a bistable jump model from 13C spin-lattice relaxation times

✍ Scribed by S. C. Shekar; K. R. K. Easwaran

• Book ID: 101718810
• Publisher: Wiley (John Wiley & Sons)
• Year: 1982
• Tongue: English
• Weight: 432 KB
• Volume: 21
• Category: Article
• ISSN: 0006-3525
• DOI: 10.1002/bip.360210802

✦ Synopsis

Abstract

A formalism for extracting the conformations of a proline ring based on the bistable jump model of R. E. London [(1978) J. Am. Chem. Soc. 100, 2678–2685] from ^13^C spin‐lattice relaxation times (T~1~) is given. The method is such that the relaxation data are only partially used to generate the conformations; these conformations are constrained to satisfy the rest of the relaxation data and to yield acceptable ring geometry. An alternate equation for T~1~ of ^13^C nuclei to that of London is given. The formalism is illustrated through an example.