التفاصيل البيبلوغرافية
| العنوان: |
Towards Iron(II) Complexes with Octahedral Geometry: Synthesis, Structure and Photophysical Properties |
| المؤلفون: |
Mohamed Darari, Antonio Francés-Monerris, Bogdan Marekha, Abdelatif Doudouh, Emmanuel Wenger, Antonio Monari, Stefan Haacke, Philippe C. Gros |
| المصدر: |
Molecules; Volume 25; Issue 24; Pages: 5991 |
| بيانات النشر: |
Multidisciplinary Digital Publishing Institute |
| سنة النشر: |
2020 |
| المجموعة: |
MDPI Open Access Publishing |
| مصطلحات موضوعية: |
iron (II) complexes, octahedral geometry, excited states dynamics, density functional theory, time-resolved spectroscopy |
| جغرافية الموضوع: |
agris |
| الوصف: |
The control of ligand-field splitting in iron (II) complexes is critical to slow down the metal-to-ligand charge transfer (MLCT)-excited states deactivation pathways. The gap between the metal-centered states is maximal when the coordination sphere of the complex approaches an ideal octahedral geometry. Two new iron(II) complexes (C1 and C2), prepared from pyridylNHC and pyridylquinoline type ligands, respectively, have a near-perfect octahedral coordination of the metal. The photophysics of the complexes have been further investigated by means of ultrafast spectroscopy and TD-DFT modeling. For C1, it is shown that—despite the geometrical improvement—the excited state deactivation is faster than for the parent pseudo-octahedral C0 complex. This unexpected result is due to the increased ligand flexibility in C1 that lowers the energetic barrier for the relaxation of 3MLCT into the 3MC state. For C2, the effect of the increased ligand field is not strong enough to close the prominent deactivation channel into the metal-centered quintet state, as for other Fe-polypyridine complexes. |
| نوع الوثيقة: |
text |
| وصف الملف: |
application/pdf |
| اللغة: |
English |
| Relation: |
Organic Chemistry; https://dx.doi.org/10.3390/molecules25245991 |
| DOI: |
10.3390/molecules25245991 |
| الاتاحة: |
https://doi.org/10.3390/molecules25245991 |
| Rights: |
https://creativecommons.org/licenses/by/4.0/ |
| رقم الانضمام: |
edsbas.D592CAFC |
| قاعدة البيانات: |
BASE |