Visualization of enantiomers using natural abundant (13)C-filtered single and double quantum selective refocusing experiments: Application to small chiral molecules.

Nilamoni Nath, Bikash Baishya, N Suryaprakash

Index: J. Magn. Reson. 200(1) , 101-8, (2009)

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Abstract

The routine use of proton NMR for the visualization of enantiomers, aligned in the chiral liquid crystal solvent poly-gamma-benzyl-l-glutamate (PBLG), is restricted due to severe loss of resolution arising from large number of pair wise interaction of nuclear spins. In the present study, we have designed two experimental techniques for their visualization utilizing the natural abundance (13)C edited selective refocusing of single quantum (CH-SERF) and double quantum (CH-DQSERF) coherences. The methods achieve chiral discrimination and aid in the simultaneous determination of homonuclear couplings between active and passive spins and heteronuclear couplings between the excited protons and the participating (13)C spin. The CH-SERF also overcomes the problem of overlap of central transitions of the methyl selective refocusing (SERF) experiment resulting in better chiral discrimination. Theoretical description of the evolution of magnetization in both the sequences has been discussed using polarization operator formalism.