TY - JOUR
T1 - Quantum Treatment of Intermolecular Multiple-Quantum Coherences with Intramolecular J Coupling in Solution NMR
AU - Ahn, Sangdoo
AU - Warren, Warren S.
AU - Lee, Sanghyuk
N1 - Funding Information:
This work was supported by the National Institutes of Health under Contract GM35253. S. Lee is grateful for partial financial support from the nondirected research fund of the Korea Research Foundation.
PY - 1997/10
Y1 - 1997/10
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0031254248&partnerID=8YFLogxK
U2 - 10.1006/jmre.1997.1226
DO - 10.1006/jmre.1997.1226
M3 - Article
C2 - 9356265
AN - SCOPUS:0031254248
SN - 1090-7807
VL - 128
SP - 114
EP - 129
JO - Journal of Magnetic Resonance
JF - Journal of Magnetic Resonance
IS - 2
ER -