Mechanism of formation of macrocyclic siloxanes with a benzimidazole fragment by reaction of benzimidazole with 1,3-bis(iodomethyl)-1,1,3,3-tetramethyldisiloxane
- Authors: Shagun V.A.1, Zhilitskaya L.V.1, Shagun L.G.1
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Affiliations:
- Favorskii Irkutsk Institute of Chemistry, Siberian Branch
- Issue: Vol 52, No 7 (2016)
- Pages: 1000-1006
- Section: Article
- URL: https://bakhtiniada.ru/1070-4280/article/view/214690
- DOI: https://doi.org/10.1134/S1070428016070137
- ID: 214690
Cite item
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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