| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10571795 | Inorganica Chimica Acta | 2011 | 6 Pages |
Abstract
⺠TD-DFT studies of MCN (M = Ag, Au) model chains show that the absorption spectrum arises from Ï-Ï, rather than HOMO-LUMO, excitations. ⺠The DFT S0-T gaps of MCN model chains agree with the emission spectra of the bulk MCN materials. ⺠Trends in the molecular properties of MCN are attributed to relativistic effects on Au.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Craig A. Bayse, Jasprina L. Ming, Kayla M. Miller, Shannon M. McCollough, Robert D. Pike,