ISSN:
1434-1948
Keywords:
Boranes
;
Homogeneous catalysis
;
Ab initio calculations
;
Donor-acceptor systems
;
X-ray analysis
;
Chemistry
;
General Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The catechol-substituted diboranes(4) 1 react with the catechol-substituted diborylacetylenes 2, in the presence of [Pt(PPh3)2(C2H4)] or [Pt(PPh3)4], to give tetra- and hexaborylethane derivatives. When [Pt(cod)2] is used as catalyst, the tetraborylethene 5a is formed exclusively. Catalytic hydrogenation of 5a affords the 1,1,1′,1′-tetraborylethane 4a, which has been studied by an X-ray structure analysis. Natural Bond Orbital (NBO) analyses for the RHF/3-21G optimized geometries of 4a and 5a reveal intramolecular stabilization of the boron pz orbital. This covers B-O, B-B, and agostic interactions. The photoelectron spectrum of 5a is reported
Additional Material:
7 Ill.
Type of Medium:
Electronic Resource