Hydrolysis and Oxidation of a 1-Boryl-1-silyl-alkene. Molecular Structures of 9-Hydroxy-9-borabicyclo[3.3.1]nonane and a Bicyclic Oxasilabora-heptadecane B2(OSiPh2OSiPh2O)3

Autor:	Bernd Wrackmeyer, Ezzat Khan, Rhett Kempe
Rok vydání:	2007
Předmět:	chemistry.chemical_classification Heptadecane Bicyclic molecule Silylation Stereochemistry Alkene Crystal structure Medicinal chemistry 9-Borabicyclo[3.3.1]nonane Inorganic Chemistry chemistry.chemical_compound chemistry Nonane Borinic acid
Zdroj:	Zeitschrift für anorganische und allgemeine Chemie. 633:453-457
ISSN:	1521-3749 0044-2313
DOI:	10.1002/zaac.200600302
Popis:	Slow hydrolysis and oxidation of (Z)-9-[1-chlorodiphenylsilyl)-2-phenyl-vinyl]-9-borabicyclo[3.3.1]nonane (1) afforded 9-hydroxy-9-borabicyclo[3.3.1]nonane (2) and the bicyclic oxasilabora-heptadecane B2(OSiPh2OSiPh2O)3 (3), both of which could be isolated as crystalline materials and studied by X-ray analysis. Molecules of 2 are associated in the crystal lattice by O-H-O bridging. The molecular structure of the diborabicyclo[5.5.5]heptadecane 3 is built by 12-membered rings with the boron atoms in bridge head positions. The gas phase structures of 2 (2a) and of the parent 3a, B2(OSiH2OSiH2O)3, were optimized at the B3LYP/6-311+G(d,p) level of theory.
Databáze:	OpenAIRE
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