Applications of 95Mo NMR Spectroscopy. X1. 95Mo 97Mo, and 17O relaxation times, quadrupole coupling constants, and the molybdenum relaxation mechanism in Mo(CO)6

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Abstract

Spin-lattice relaxation times (T1's) of 95Mo 97Mo, 17O, and 13C for Mo(CO)6 in CDCl3 are reported. The rotational correlation time of the molecule is obtained from the chemical-shift anisotropy relaxation of 13C. Quadrupole coupling constants are calculated for 95Mo 97Mo, and 17O. The results indicate that 95Mo and 97Mo, relaxation is entirely quadrupolar and is caused by rotational reorientation of a permanent quadrupole coupling constant rather than from solvent molecule collisions and vibrationally induced momentary electric field gradients.

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