Solid-state and electronic structure of benzoxazol-2-ylidene-triphenylborane complex

Christoph Lambert; Isabel Lopez-Solera; Paul R. Raithby

doi:10.1021/om950427s

Solid-state and electronic structure of benzoxazol-2-ylidene-triphenylborane complex

Christoph Lambert, Isabel Lopez-Solera, Paul R. Raithby

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26 Citations (SciVal)

Abstract

The X-ray structure of the title compound (synthesized by the reaction of 2-lithiobenzoxazole with triphenylborane and subsequent hydrolysis with water) reveals in comparison with the MP2(FC)/6-31G* optimized structures of the model compound oxazol-2-ylidene-borane complex, the free oxazol-2-ylidene carbene, and the oxazolium cation that the borane complex is a true main-group metal carbene complex of the Fischer type and that it tends to be more similar to the free carbene than to the oxazolium cation.

Original language	English
Pages (from-to)	452-455
Number of pages	4
Journal	Organometallics
Volume	15
Issue number	1
DOIs	https://doi.org/10.1021/om950427s
Publication status	Published - 9 Jan 1996

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry

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abstract = "The X-ray structure of the title compound (synthesized by the reaction of 2-lithiobenzoxazole with triphenylborane and subsequent hydrolysis with water) reveals in comparison with the MP2(FC)/6-31G* optimized structures of the model compound oxazol-2-ylidene-borane complex, the free oxazol-2-ylidene carbene, and the oxazolium cation that the borane complex is a true main-group metal carbene complex of the Fischer type and that it tends to be more similar to the free carbene than to the oxazolium cation.",

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AU - Lopez-Solera, Isabel

AU - Raithby, Paul R.

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AB - The X-ray structure of the title compound (synthesized by the reaction of 2-lithiobenzoxazole with triphenylborane and subsequent hydrolysis with water) reveals in comparison with the MP2(FC)/6-31G* optimized structures of the model compound oxazol-2-ylidene-borane complex, the free oxazol-2-ylidene carbene, and the oxazolium cation that the borane complex is a true main-group metal carbene complex of the Fischer type and that it tends to be more similar to the free carbene than to the oxazolium cation.

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Solid-state and electronic structure of benzoxazol-2-ylidene-triphenylborane complex

Abstract

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