1. Ring opening of silacyclobutane
- Author
-
Gordon, Mark S., Barton, Thomas J., and Nakano, Haruyuki
- Subjects
Ring-opening polymerization -- Observations ,Wave functions -- Observations ,Chemical reactions -- Observations ,Chemistry - Abstract
Initial cleavage of a ring CC bond to form a trans .CHsub2SiHsub2Chsub2Chsub2. diradical is the most likely route from silacyclobutane to ethylene + silene, according to multiconfigurational self-consistent field wave functions and second order perturbation theory. The trans diradical is predicted to be a minimum on the MCSCF ground state potential energy surface. The addition of dynamic correlation leads to the disappearance of the transition state.
- Published
- 1997