Based on the capture force field potential model and the adiabatic invariant proposed by Bates, adopting improved average dipole orientation (IADO) theory, the force constants between transition metal ions and benzene...Based on the capture force field potential model and the adiabatic invariant proposed by Bates, adopting improved average dipole orientation (IADO) theory, the force constants between transition metal ions and benzene (bz) and also a series of inner-sphere reoganization energy (REin) were calculated. The reasons for the differences between theoretical predictions and experimental results were discussed.展开更多
文摘Based on the capture force field potential model and the adiabatic invariant proposed by Bates, adopting improved average dipole orientation (IADO) theory, the force constants between transition metal ions and benzene (bz) and also a series of inner-sphere reoganization energy (REin) were calculated. The reasons for the differences between theoretical predictions and experimental results were discussed.
