Solvent dependence of the deuteron quadrupole coupling constant of CDCl3determined by2H spinhyphen;lattice relaxation and Raman line shape studies

摘要

The deuterium quadrupole coupling constant in deuterochloroform was determined in an inert solvent (C6H12) and in polar solvents (neat liquid, C6H6, and THF), by combining NMR relaxation data with Raman line shape analysis of the ngr;1band (2253 cmminus;1) of deuterochloroform. TheQDvalue in a 20 molthinsp;percnt; solution of CDCl3in C6H12was found to be (186plusmn;4 kHz), significantly higher than any previously reported value obtained in liquid crystals. A substantial lowering of the quadrupole coupling constant was observed in polar solvents.