Quantum Treatment of Intermolecular Multiple-Quantum Coherences with IntramolecularJCoupling in Solution NMR |
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Authors: | Sangdoo Ahn Warren S Warren Sanghyuk Lee |
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Institution: | aDepartment of Chemistry, Princeton University, Princeton, New Jersey, 08544-1009;bDepartment of Chemistry, Ewha Womans University, Seoul, 120-750, Korea |
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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 (13CHCl3sample, 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. |
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