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• W2068152056 startingPage "1069" @default.
• W2068152056 abstract "The structure of crystalline trimethyltin cyanide has been studied by magic-angle spinning NMR, by DFT computations and by single-crystal X-ray diffraction. An earlier diffraction study reported some disorder in the SnCNSn chains. However, the 119Sn spectrum shows unequivocally that this is not so, since only a single centreband isotropic signal is observed. This finding is confirmed by DFT calculations, the results of which are consistent with an ordered CNSnCN environment for tin. The computed shielding anisotropy is in good agreement with the experimental value obtained from spinning sideband analysis. Carbon-13 CPMAS data are also reported. A new synthetic procedure provided high-quality crystals, enabling X-ray diffraction to be applied with modern equipment. The results confirmed the conclusion made from the NMR experiments and the DFT computations. The chain structure is ordered, though positions of some hydrogen atoms may be disordered. Revised geometrical data are reported and discussed." @default.
• W2068152056 created "2016-06-24" @default.
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• W2068152056 date "2004-10-01" @default.
• W2068152056 modified "2023-10-06" @default.
• W2068152056 title "Magic-angle spinning NMR spectra and re-examined crystal structure of trimethyltin cyanide" @default.
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• W2068152056 doi "https://doi.org/10.1016/j.solidstatesciences.2004.06.001" @default.
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