Abstract

Molecular force field ellipses of coordinated water (treated as XY 2 Z type) in the crystalline and amorphous titanium complexes have been examined. The modified relations for molecular force constants and L elements derived for XY 2 X type structures with the Green's function formalism and partitioning techniques are given. The study brings out clearly the influence of titanium atom mass on the molecular force constants and Σ elements of coordinated water. The molecular force constants and symmetrized mean square amplitudes for bond angles 104.5°, 110° and 115° are reported.

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