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Direct estimation of an element of order matrix from 1 H NMR spectra of strongly dipolar coupled spins
Author(s) -
Manjunatha Reddy G. N.,
Suryaprakash N.
Publication year - 2009
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.2428
Subject(s) - homonuclear molecule , chemistry , spins , thermotropic crystal , dipole , nmr spectra database , residual dipolar coupling , decoupling (probability) , spectral line , solid state nuclear magnetic resonance , molecular physics , nuclear magnetic resonance spectroscopy , molecule , quantum mechanics , nuclear magnetic resonance , condensed matter physics , physics , stereochemistry , polymer , liquid crystalline , organic chemistry , engineering , control engineering
NMR spectra of molecules oriented in thermotropic liquid crystalline media provide information on the molecular structure and order. The spins are generally strongly dipolar coupled and the spectral analyses require the tedious and time consuming numerical iterative calculations. The present study demonstrates the application of multiple quantum spin state selective detection of single quantum transitions for mimicking the homonuclear decoupling and the direct estimation of an element of ordering matrix. This information is utilized to estimate the nearly accurate starting dipolar couplings for iterative calculations. The studies on the spectra of strongly dipolar coupled five and six interacting spin systems are reported. Copyright © 2009 John Wiley & Sons, Ltd.