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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 B2(OSiPh2OSiPh2O)3
Authors:Bernd Wrackmeyer Prof. Dr.  Ezzat Khan  Rhett Kempe
Affiliation:1. Bayreuth/Germany, Anorganische Chemie II, Universit?t BayreuthUniversit?t Bayreuth, Anorganische Chemie II, D‐95440 Bayreuth/Germany Fax: Int. Code +(921)552157;2. Bayreuth/Germany, Anorganische Chemie II, Universit?t Bayreuth
Abstract: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.
Keywords:Siloxanes  Boroxanes  Macrocycles  Borinic acid  Crystal structures
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