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ANYSIL-, AMINOPHENYL-, AND NAPHTHYLMETHYLSILATRANES REVISITED

Yu Wang, Vitalijs Romanovs, Jana Spura, Lubova Ignatovica, Thierry Roisnel, Viatcheslav Jouikov
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Abstract


Three Si-substituted silatranes were synthesized in order to rectify their structure with particular attention to the length of the N–Si intramolecular dative bond. DFT calculations of potential energy profile as a function of the N–Si distance and the structure of HOMO were considered. The latter was found to vary its localization depending on the electron-donating properties of the substituent and the N–Si distance.

Keywords


silatranes; DFT calculations; N–Si dative bond,; synthesis; X-ray structure

Full Text: PDF Supplementary File(s): Supporting information (241KB)


 

 

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