| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382405 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠DFT calculations explore the cis influence of corrins on Co-CH3 bond homolysis. ⺠There is normal trans influence between Co-CH3 and Co-NH3 bond lengths. ⺠Increasing electron donation from the corrin causes the Co-CH3 BDE to decrease. ⺠Differences in BDE arises from differential stabilization between 6C-Co(III) and 5(C)-Co(II).
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Penny P. Govender, Isabelle Navizet, Christopher B. Perry, Helder M. Marques,