2H NMR Study of Molecular and Electron Spin Dynamics in Paramagnetic [Co(H2O)6][SiF6]
The temperature dependences of 2H NMR spectra and the spin-lattice relaxation time T\ were measured for [Co(H2O)f,][SiF6]. The variation of the spectrum above room temperature can be explained by the reorientation of [Co(H2O)6]2+ about the C3 axis. The activation energy Ea and the jumping rate at infinite temperature K0 for the three site jump of [Co(H2O)6]2+ were obtained as 82 kJmol-1 and 2x 1017s-1 from the spectral simulation. Below room temperature, the spectral line shape was dominated by the 180° flip of the water molecule. The minimum of T1 caused by the 180° flip of the water molecule was observed at ca. 260 K. The jumping rate of the 180° flip of the water molecule was estimated from the 2H NMR T1 and the spectral simulation. Ea = 38 kJmol-1 and K0 = 6x 1015s-1 for the 180° flip of the water molecule were obtained from T1.