The quadrupole coupling tensor of ⁹⁵Mo in mesitylene molybdenum tricarbonyl

The quadrupole coupling tensor of⁹⁵Mo in mesitylene-d₁, molybdenum tricarbonyl is determined in benzene solution by NMR of the dielectrically aligned molecule. The largest principal component e²qQ/h, which lies along the dipole moment of the complex, is ±(954 ± 50) kHz. The asymmetry parameter η is zero because of symmetry considerations. A value of 10-9 ± 0-6 MHz for the quadrupole coupling constant of⁹⁷Mo is obtained by evaluating the quadrupole-moment ratio of⁹⁷Mo and⁹⁵Mo. Rotational diffusion of the complex in solution is investigated by relaxation measurements. The dipole moment of the complex is estimated to be (2.1 ± 0.1) x 10^-29Cm (6-2 +0-4 D).