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2,2,4,4-Tetra-tert-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaidehyde

Title
2,2,4,4-Tetra-tert-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaidehyde
Type
Article in International Scientific Journal
Year
2006
Authors
Andrade, LCR
(Author)
Other
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Paixao, JA
(Author)
Other
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de Almeida, MJM
(Author)
Other
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Christophe Siquet
(Author)
FEUP
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Borges, F
(Author)
FFUP
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Journal
Vol. 62
ISSN: 0108-2701
Publisher: Blackwell
Indexing
Publicação em ISI Web of Knowledge ISI Web of Knowledge - 0 Citations
Publicação em Scopus Scopus - 0 Citations
Scientific classification
FOS: Natural sciences > Chemical sciences
Other information
Authenticus ID: P-004-NAN
Abstract (EN): The molecule of the title compound, C(23)H(40)O(4)Si(2), features an approximate non-crystallographic C(2) symmetry axis. The aldehyde group is disordered over two positions with similar occupancies. The geometry of the isolated molecule was studied by ab initio quantum mechanical calculations employing a molecular orbital Hartree - Fock method. The calculations reproduce well the equilibrium geometry but slightly overestimate the value of the Si - O bond lengths of the trioxadisilepine ring.
Language: English
Type (Professor's evaluation): Scientific
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