Nuclear quadrupole coupling constants in liquids. Raman line shapes and 2D spin–lattice relaxation in CDCl3 and CDBr3

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Abstract
Deuterium quadrupole coupling constants have been obtained for two symmetric‐top molecules in the liquid phase by combining NMR relaxation data with Raman line‐shape analysis of bands of A1 symmetry. The Raman lines have been corrected for vibrational and instrumental broadening by comparing the polarized and depolarized components of a single line. More than one A1 line has been studied for each molecule. The previously uncertain deuterium quadrupole coupling constant for CDBr3 has been determined in this work to be 177±5 kHz and deuterium coupling constants in CDX3 molecules are discussed. The procedure described here provides a different method for obtaining nuclear quadrupole coupling constants in the liquid phase.