2-Azabutadiene complexes of rhenium(i): S,N-chelated species with photophysical properties heavily governed by the ligand hidden traits

2021 ◽  
Vol 50 (8) ◽  
pp. 2945-2963
Author(s):  
Adrien Schlachter ◽  
Frank Juvenal ◽  
Rodolphe Kinghat Tangou ◽  
Abderrahim Khatyr ◽  
Fabrice Guyon ◽  
...  
Keyword(s):  
Excited States ◽  
Photophysical Properties ◽  
Deactivation Kinetics ◽  
Kinetics Of

The S,N-coordination of azabutadienes onto fac-Re(CO)3X species creates moderately emissive complexes, which exhibit ultrafast and multiphasic deactivation kinetics of both their singlet and triplet (MLCT/ILCT) excited states.

Solvent Dependence of Structural Dynamics and Spin-flip Processes in 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (ortho-3CzBN)

2020 ◽  
Author(s):  
Masaki Saigo ◽  
Kiyoshi Miyata ◽  
Hajime Nakanotani ◽  
Chihaya Adachi ◽  
Ken Onda
Keyword(s):  
Dft Calculations ◽  
Excited States ◽  
Structural Changes ◽  
Photophysical Properties ◽  
Delayed Fluorescence ◽  
Time Resolved ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Solvent Dependence ◽  
Acetonitrile Solutions

We have investigated the solvent-dependence of structural changes along with intersystem crossing of a thermally activated delayed fluorescence (TADF) molecule, 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (o-3CzBN), in toluene, tetrahydrofuran, and acetonitrile solutions using time-resolved infrared (TR-IR) spectroscopy and DFT calculations. We found that the geometries of the S1 and T1 states are very similar in all solvents though the photophysical properties mostly depend on the solvent. In addition, the time-dependent DFT calculations based on these geometries suggested that the thermally activated delayed fluorescence process of o-3CzBN is governed more by the higher-lying excited states than by the structural changes in the excited states.<br>

Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes

2019 ◽  
Vol 55 (63) ◽  
pp. 9351-9354 ◽  
Author(s):  
Michael Hailmann ◽  
Benjamin Hupp ◽  
Alexander Himmelspach ◽  
Fabian Keppner ◽  
Philipp T. Hennig ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Photophysical Properties ◽  
Silver Complexes ◽  
Boron Cluster ◽  
Gold Silver

Homo- and heterometallic gold(i) and silver(i) complexes with the carba-closo-dodecaboranylethynyl ligand were obtained and the participation of the boron cluster to the photophysical properties was proven.

scholarly journals Deactivation kinetics of immobilized ?-chymotrypsin subpopulations

1984 ◽  
Vol 26 (9) ◽  
pp. 1090-1097 ◽  
Author(s):  
Douglas S. Clark ◽  
James E. Bailey
Keyword(s):  
Deactivation Kinetics ◽  
Kinetics Of

scholarly journals Towards Iron(II) Complexes with Octahedral Geometry: Synthesis, Structure and Photophysical Properties

Molecules ◽  
2020 ◽  
Vol 25 (24) ◽  
pp. 5991
Author(s):  
Mohamed Darari ◽  
Antonio Francés-Monerris ◽  
Bogdan Marekha ◽  
Abdelatif Doudouh ◽  
Emmanuel Wenger ◽  
...  
Keyword(s):  
Excited States ◽  
Photophysical Properties ◽  
Octahedral Geometry ◽  
Ligand Field ◽  
Unexpected Result ◽  
Quintet State ◽  
Dft Modeling ◽  
Ligand Charge Transfer ◽  
Td Dft ◽  
Polypyridine Complexes

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.

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