A Th eoretical Study on the Therm al Unimo lecular Reactions o f cis-۱,۲-Dimethylcyclopro pane and trans-۱,۲- Dimethylc ycloprop ane

The isom erization of cycloprop ane into pro pylene is th e first true elementary unimolecular gas reaction [۱]. In the thermal p rocesses such as combu stion, partia l oxidation and cracking, cyclic hydrocarbons, particularly cycloalkanes, represent an important class of compounds. In this rese arch, the unimolecula r reactions of two simple branched cyclopropanes are theoretically studied.

کلیدواژه ها:

Dimethy lcyclopropane ، Unimol ecular Reactions ، RRKM theory ، Ab initio