| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5393491 | Computational and Theoretical Chemistry | 2014 | 6 Pages |
Abstract
A DFT study of the catalytic mechanism of the dehydrogenation of ammonia borane (NH3BH3) has been investigated by [Ir(ItBuâ²)2]+. A proton transfer mechanism is mostly kinetically favorable with the lowest activation barrier.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
![DFT studies of dehydrogenation of ammonia-borane catalyzed by [Ir(ItBuâ²)2]+: A proton transfer mechanism](/preview/png/5393491.png "First Page Preview: DFT studies of dehydrogenation of ammonia-borane catalyzed by [Ir(ItBuâ²)2]+: A proton transfer mechanism")
Authors
Dong-Xia Ai, Zheng-Hang Qi, Gui-Yu Ruan, Ye Zhang, Wei Liu, Yong Wang,