The quadrupole coupling tensor of 95 Mo in mesitylene molybdenum tricarbonyl

Abstract

The quadrupole coupling tensor of ⁹⁵Mo in mesitylene-d₁ molybdenum tricarbonyl is determined in benzene solution by NMR of the dielectrically aligned molecule. The largest principal component e ² qQ/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 of ⁹⁷Mo is obtained by evaluating the quadrupole-moment ratio of ⁹⁷Mo and ⁹⁵Mo. 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) × 10^-29 Cm (6·2 ± 0·4 D).