Quantum Treatment of Intermolecular Multiple-Quantum Coherences with Intramolecular J Coupling in Solution NMR

Sangdoo Ahn, Warren S. Warren, Sanghyuk Lee

Research output: Contribution to journalArticlepeer-review

45 Scopus citations

Abstract

A recently introduced density matrix picture for dipolar effects in solution NMR (1996, J. Chem. Phys. 105, 874) gave complete solutions for intermolecular multiple-quantum coherences for single-component samples without scalar couplings. This paper, for the first time, shows that this quantum picture can lead to explicit signal expressions for multicomponent samples of molecules with internal scalar couplings (here assumed to generate a first-order spectrum) and long-range dipolar couplings. Experimental observation of a triplet in the indirectly detected dimension for a heteronuclear CRAZED sequence (13CHCl3 sample, ZQ or 2Q coherences) gives clear evidence that the coupling is due to the intermolecular dipolar coupling. We also make comparisons with classical pictures which introduce the dipolar demagnetization field in multicomponent spin systems.

Original languageEnglish
Pages (from-to)114-129
Number of pages16
JournalJournal of Magnetic Resonance
Volume128
Issue number2
DOIs
StatePublished - Oct 1997

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