Determination of absolute interproton distances by variable temperature two-dimensional cross-relaxation spectroscopy

Nenad Juranić, Zsolt Zolnai, Slobodan Macura

Research output: Contribution to journalArticle

Abstract

We propose to use the temperature dependence of laboratory frame cross-relaxation rate to deduce the absolute value of interproton distances in solutions. For rigid molecules undergoing isotropic random motion, the cross relaxation rate becomes zero at a characteristic temperature T 0 , while at a higher temperature T max it reaches its maximum. At T max the correlation time is precisely defined and the interproton distance can be calculated directly from the cross-relaxation rate. The applicability of the method is tested on a small model compound, cyclo-(L-Pro-Gly). For the geminal proton pair of glycine, the measured distance of 1.89 ± 0.011 Å disagrees with the model value beyond the experimental error, indicating that the accepted model parameters need to be reevaluated.

Original languageEnglish (US)
Pages (from-to)857-871
Number of pages15
JournalJournal of the Serbian Chemical Society
Volume62
Issue number9
StatePublished - Jan 1 1997

Keywords

  • Cross-relaxation
  • Cyclo-(L-Pro-Gly)
  • Distances
  • NMR

ASJC Scopus subject areas

  • Chemistry(all)

Fingerprint Dive into the research topics of 'Determination of absolute interproton distances by variable temperature two-dimensional cross-relaxation spectroscopy'. Together they form a unique fingerprint.

  • Cite this