Theoretical examination of borosiloxane and aluminosiloxane oligomers

Autor:	V. E. Klimenko, I. P. Beletskii
Rok vydání:	1991
Předmět:	chemistry.chemical_compound Condensation polymer chemistry Polymerization Linear combination of atomic orbitals Aluminium Computational chemistry chemistry.chemical_element MNDO General Chemistry Silicic acid Electronic structure Boron
Zdroj:	Theoretical and Experimental Chemistry. 27:140-142
ISSN:	1573-935X 0040-5760
DOI:	10.1007/bf01372463
Popis:	The quantum-chemical method SCF MO LCAO in the MNDO approximation has been used to investigate the spatial and electronic structure of borosiloxane and aluminosiloxane oligomers that are formed in the original stages of polymerization of silicic acid in the presence of boron or aluminum atoms. An analysis has been made of the energetics of the polycondensation process, the charge redistributions, and the Bronsted acidities O these systems.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::e977e24e0654df625394d31c89e61897 https://doi.org/10.1007/bf01372463 Zobrazit plný text záznamu Full text from SpringerLink