Mechanism of formation of macrocyclic siloxanes with a benzimidazole fragment by reaction of benzimidazole with 1,3-bis(iodomethyl)-1,1,3,3-tetramethyldisiloxane


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Abstract

The formation of macrocyclic polysiloxane system containing a benzimidazole fragment by reaction of benzimidazole with 1,3-bis(iodomethyl)-1,1,3,3-tetramethyldisiloxane was studied at the B3LYP/6-31G(d,p) level of theory. The calculations showed that expansion of siloxane ring involves thermodynamically controlled insertion of four silanone molecules generated by thermal decomposition of the complex derived from the initial siloxane and hydrogen triiodide.

About the authors

V. A. Shagun

Favorskii Irkutsk Institute of Chemistry, Siberian Branch

Email: shag@irioch.irk.ru
Russian Federation, ul. Favorskogo 1, Irkutsk, 664033

L. V. Zhilitskaya

Favorskii Irkutsk Institute of Chemistry, Siberian Branch

Email: shag@irioch.irk.ru
Russian Federation, ul. Favorskogo 1, Irkutsk, 664033

L. G. Shagun

Favorskii Irkutsk Institute of Chemistry, Siberian Branch

Author for correspondence.
Email: shag@irioch.irk.ru
Russian Federation, ul. Favorskogo 1, Irkutsk, 664033

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