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Ring opening of silacyclobutane
- Source :
- Journal of the American Chemical Society. Dec 10, 1997, Vol. 119 Issue 49, p11966, 8 p.
- Publication Year :
- 1997
-
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.
Details
- ISSN :
- 00027863
- Volume :
- 119
- Issue :
- 49
- Database :
- Gale General OneFile
- Journal :
- Journal of the American Chemical Society
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.20485817