| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1324517 | Journal of Organometallic Chemistry | 2013 | 6 Pages |
Abstract
⺠Structures of η2-C60MLn complexes were investigated by DFT. ⺠MLn rotation mechanism in η2-C60MLn was theoretically modelized. ⺠Stationary points on PES for haptotropic rearrangements in η2-C60MLn were localized. ⺠Activation barriers of MLn rotation and haptotropic rearrangements were calculated.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Yuri F. Oprunenko, Igor P. Gloriozov,