Experiments to detect long-range heteronuclear shift correlations: LR-J-HSMQC

J Magn Reson. 2002 Jun;156(2):249-57. doi: 10.1006/jmre.2002.2563.

Abstract

The utility of the J-HSMQC experiment to detect long-range CH correlations was investigated. Two new long-range J-compensated pulse sequences, LR-J-HSMQC(80,27) and LR-J-HSMQC(27,80), were developed using the (3beta(x))beta(y) composite 90 degrees pulse sequence. These two experiments were shown to be effective for long-range coupling constants, (n)J(CH), that were greater than 3 Hz. Although the overall sensitivities of the long-range J-HSMQC experiments were slightly lower than that of the conventional decoupled HMBC experiment, their 2D maps showed additional cross peaks that could be useful in structure elucidation. LR-J-HSMQC(27,80) was very efficient in yielding two- and four-bond relay correlations. The utility of the new sequences is demonstrated with strychnine as the sample.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acetic Acid / chemistry*
  • Acrylates / chemistry*
  • Magnetic Resonance Spectroscopy / methods*
  • Strychnine / chemistry*

Substances

  • Acrylates
  • Strychnine
  • acrylic acid
  • Acetic Acid