| Autor: |
Boggio-Pasqua, Juan Sanz García, Francesco Talotta, Fabienne Alary, Isabelle Dixon, Jean-Louis Heully, Martial |
| Jazyk: |
angličtina |
| Rok vydání: |
2017 |
| Předmět: |
|
| Zdroj: |
Molecules; Volume 22; Issue 10; Pages: 1667 |
| ISSN: |
1420-3049 |
| DOI: |
10.3390/molecules22101667 |
| Popis: |
Ruthenium nitrosyl complexes are fascinating versatile photoactive molecules that can either undergo NO linkage photoisomerization or NO photorelease. The photochromic response of three ruthenium mononitrosyl complexes, trans-[RuCl(NO)(py)4]2+, trans-[RuBr(NO)(py)4]2+, and trans-(Cl,Cl)[RuCl2(NO)(tpy)]+, has been investigated using density functional theory and time-dependent density functional theory. The N to O photoisomerization pathways and absorption properties of the various stable and metastable species have been computed, providing a simple rationalization of the photoconversion trend in this series of complexes. The dramatic decrease of the N to O photoisomerization efficiency going from the first to the last complex is mainly attributed to an increase of the photoproduct absorption at the irradiation wavelength, rather than a change in the photoisomerization pathways. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
|
