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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 B 2 (OSiPh 2 OSiPh 2 O) 3
Author(s) -
Wrackmeyer Bernd,
Khan Ezzat,
Kempe Rhett
Publication year - 2007
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.200600302
Subject(s) - nonane , bicyclic molecule , heptadecane , chemistry , alkene , molecule , crystal structure , molecular sieve , hydrolysis , stereochemistry , crystallography , medicinal chemistry , organic chemistry , adsorption , catalysis
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 B 2 (OSiPh 2 OSiPh 2 O) 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 , B 2 (OSiH 2 OSiH 2 O) 3 , were optimized at the B3LYP/6‐311+G(d,p) level of theory.