Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1312650 | Inorganica Chimica Acta | 2010 | 7 Pages |
Abstract
For indenyl, the spirodiene complex rearranges to the monocarbonyl species with an activation barrier of 21 kcal molâ1 (reaction on the right) whereas for cyclopentadienyl the analogous pathway requires 35 kcal molâ1(reaction on the left). These DFT mechanistic results corroborate the reactivity experimentally observed.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Luis F. Veiros, Jan HonzÃÄek, Carlos C. Romão, Maria José Calhorda,