| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5393011 | Computational and Theoretical Chemistry | 2016 | 8 Pages |
Abstract
The reactions of MO (MÂ =Â Sc-V) with CH3Cl have been studied theoretically. The ground-state MO (MÂ =Â Sc-V) reacts with CH3Cl to form CH3Cl(MO) complex, which further isomerizes to the more stable CH3OMCl, CH3(MOCl) and agostic ClCH2MOH isomers, respectively. The isomerization channel, CH3Cl(MO) â CH3(MOCl) â CH3OMCl, is one two-step reaction, which is the main isomerization channel due to the lower energy barrier.46
Related Topics
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Physical and Theoretical Chemistry
Authors
Zhengguo Huang, Bohai Zhang, Qi Wang, Yuan Yuan, Le Sun,