| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1323514 | Journal of Organometallic Chemistry | 2012 | 5 Pages |
Abstract
⺠DFT calculations reproduce the structure of [CuN(SiMe3)2]4 well. ⺠TDDFT reproduces absorption spectrum with model complex. ⺠Excited states show significant Cu-Cu bonding. ⺠Jahn-Teller effect results in distorted geometry in excited states. ⺠ÎSCF calculations suggest phosphorescence as mechanism of emission.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
![Theoretical study of the structure, bonding and electronic spectrum of the tetrameric copper (I) amide complex [CuN(SiMe3)2]4](/preview/png/1323514.png "First Page Preview: Theoretical study of the structure, bonding and electronic spectrum of the tetrameric copper (I) amide complex [CuN(SiMe3)2]4")
Authors
John P. Graham,