Modelling nucleophilic substitution at silicon with pentacoordinated amides

Pestunovich et al have performed theoretical quantum chemical calculations and obtained the X-ray crystal structures of a series of pentacoordinated amides.

By plotting together the calculated and experimentally obtained O-Si and Si­Cl bond distances in each complex, good agreement between theory and practice was found with a hyperbolic curve being obtained of increasing Si-Cl distance (y axis) with decreasing Si-O distance (x axis).

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