Validation of a computational protocol to simulate near IR phosphorescence spectra for Ru(II) and Ir(III) metal complexes

2015 ◽  
Vol 134 (12) ◽  
Author(s):  
Fanny Vazart ◽  
Camille Latouche
2016 ◽  
Vol 23 (2) ◽  
pp. 234-238 ◽  
Author(s):  
Luke K. McKenzie ◽  
Igor V. Sazanovich ◽  
Elizabeth Baggaley ◽  
Mickaële Bonneau ◽  
Véronique Guerchais ◽  
...  

2020 ◽  
Vol 128 (11) ◽  
pp. 1657
Author(s):  
П.П. Першукевич ◽  
Д.И. Волкович ◽  
Е.А. Макарова ◽  
Е.А. Лукьянец ◽  
К.Н. Соловьёв

Phosphorescence in the near-IR range under stationary lamp excitation was studied of three palladium and three platinum complexes of benzocondensed hydroporphyrazine phthalocyanine analogues in which molecule one or two isoindole fragments are replaced by a hydrogenated pyrrole ring, giving macrocycles of photosynthetic pigments analogues of chlorin, bacteriochlorin and isobacteriochlorin types. For the first time, the phosphorescence spectra of trans-dibenzotetrahydroporphyrazines (for both platinum and palladium) have been registered, which detection failed during long time due to the record removal of 0-0 bands from the visible area (1.67 and 1.52 µm for Pd and Pt), and also because of the small quantum yield of phosphorescence. The fluorescence of these complexes was also detected.in the near-IR range. On the basis of comparison of experimental results with own and literature data for palladium complexes of a number of tetrapyrroles is shown the approximate additivity of the influence of structural factors — hydrogenation of pyrrole rings, aza- and benzo substitution — on the energy of the lower triplet state T1. The information obtained is essential for targeted creation of emitters in the near-IR range (1.0-1.7 µm).


2014 ◽  
Vol 54 (5) ◽  
pp. 1570-1573 ◽  
Author(s):  
Marcus Schulze ◽  
Andreas Steffen ◽  
Frank Würthner

2007 ◽  
Vol 10 (2) ◽  
pp. 191-194 ◽  
Author(s):  
M. Carla Aragoni ◽  
Massimiliano Arca ◽  
Francesco A. Devillanova ◽  
Francesco Isaia ◽  
Vito Lippolis ◽  
...  
Keyword(s):  

1964 ◽  
Vol 18 ◽  
pp. 1320-1321 ◽  
Author(s):  
Anders Ehrenberg ◽  
Peter Hemmerich ◽  
Martin Nilsson ◽  
Attilio Melera ◽  
Lennart Nilsson

2017 ◽  
Vol 23 (2) ◽  
Author(s):  
Luke K. McKenzie ◽  
Igor V. Sazanovich ◽  
Elizabeth Baggaley ◽  
Mickaële Bonneau ◽  
Véronique Guerchais ◽  
...  

2014 ◽  
Vol 127 (5) ◽  
pp. 1590-1593 ◽  
Author(s):  
Marcus Schulze ◽  
Andreas Steffen ◽  
Frank Würthner

2021 ◽  
Author(s):  
Romain Schira ◽  
Camille Latouche

A quantum investigation of the optical (mainly luminescence) properties of twelve transition metal complexes using DFT, TDDFT and TDA computations is presented. Unrestricted DFT and TDA outperform TDDFT for the investigated complexes especially when an Ir centre is present.


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