Abstract
The geometrical structure and the electronic states of the hydrated Ti + ion, [Ti(H 2 O) 6 ] 3+ complex, have been studied by means of ab initio MO calculations including electron correlation. The optimized geometrical structure is in good agreement with the structure that has been experimentally determined by means of an electron spin-echo modulation analysis. The complex possesses D 3d symmetry, which is slightly distorted from O h symmetry by the Jahn-Teller effect
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