Deuterium quadrupole coupling in solid complexes of diethyl ether, acetone, and mesitylene with chloroform-d

The deuterium quadrupole coupling constant in the 1:1 solid compound of CDCl3 with diethyl ether was measured to be 149.1±0.5 kHz at 77°K. The corresponding value for CDCl3 at liquid nitrogen temperature is 166.9±0.1 kHz. This shift in field gradient is discussed in terms of the charge distribution of the acceptor molecule and the shifts in charge in the donor molecule which accompany formation of the C–D⋯O hydrogen bond which is expected to be a salient feature of the structure of this compound. Measurements on the 1:1 compounds of CDCl3 with acetone and mesitylene are also briefly discussed in terms of the electronic structures of the complexes. Values of the deuteron quadrupole coupling constant are closely related to shifts which occur in vibrational force constants for CDCl3 complexes.