The 29Si NMR chemical shifts for a series of organically modified silane compounds, MexSi(OR)y(OH)4 − x − y (OR = OMe, OEt), were evaluated using a partial charge model (PCM) approach to describe the chemical bonding. These PCM results allow the relative contributions of the diamagnetic and paramagnetic terms in the 29Si NMR chemical shielding constant to be discussed. An explanation for the unique variations in the 29Si chemical shifts during for hydrolyzed organically modified silanes is presented.
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Alam et al. (2000) studied this question.
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