Theoretical Study of the Electronic Structure of Ketene, Ketenimine, Keteniminium Ion and Related Cumulenes. Evaluation of a 1,2 Dipolar Model

✍ Scribed by E. Sonveaux; J. M. André; J. Delhalle; J. G. Fripiat

• Publisher: Wiley (John Wiley & Sons)
• Year: 2010
• Weight: 700 KB
• Volume: 94
• Category: Article
• ISSN: 0037-9646
• DOI: 10.1002/bscb.19850941111

✦ Synopsis

performed by ab i n i t i o methods f o r a l l e n e , ketene, k e t e n l d n e and keteniminium ion. Vinylketene and vinylketenimine were also i n v e s t i g a t e d . The e l e c t r o n i c populations, t h e f r o n t i e r o r b i t a l e n e r g i e s and c o e f f i c i e n t s were deducted. A 1,Z-dipolar model of heterocumulenes is proposed. The e x p e r h n t a l r e s u l t s r e l a t e d to t h e cycloadditions of t h e s e heterocumulenes are discussed on t h e b a s i s of t h i s model. molecular o r b i t a l and c o n f i g u r a t i o n i n t e r a c t i o n c a l c u l a t i o n s have been 'ric-cn, SCHEME 2. Typical reactions of keteniminium ions. ACMOWLEDGMENT f o r f i n a n c i a l support.

and advices t h a t have boen generoumly given by Prof. L. Ghosez.