Abstract

For monosilicate anions with threefold symmetry, the silicon shielding tensor components have been calculated in dependence on the SiO bond lengths and the OSiO bond angles. The parallel shielding component linearly correlates with the bond length of the SiO bond in the same direction (symmetry axis direction) as observed by experiments. The analysis of the localized orbital contributions to the change of the shielding by geometry variations shows that this is an indirect effect. The change of the parallel shielding component is mainly due to the three other SiO bonds, whereas the SiO bond in the symmetry axis direction contributes to the change of the perpendicular shielding component.

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