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.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry