Molecular Structure of a Carbosilane Oligomer

— In this paper, we report a detailed study of the molecular structure of a preceramic carbosilane and the visualization and optimization of its geometric structure. Using quantum-chemical calculations, we have identified the most probable structure of the oligomeric carbosilane and obtained thermod...

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Bibliographic Details
Published in:Inorganic materials 2020-03, Vol.56 (3), p.304-308
Main Authors: Shcherbakova, G. I., Sidorov, D. V., Mapolis, A. P., Storozhenko, P. A., Kirilin, A. D., Belova, L. O., Zhigalov, D. V.
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
Industrial Chemistry/Chemical Engineering
Inorganic Chemistry
Materials Science
Molecular structure
Optimization
Quantum chemistry
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Summary:— In this paper, we report a detailed study of the molecular structure of a preceramic carbosilane and the visualization and optimization of its geometric structure. Using quantum-chemical calculations, we have identified the most probable structure of the oligomeric carbosilane and obtained thermodynamic data for it.
ISSN:0020-1685
1608-3172
DOI:10.1134/S0020168520030188