52.3: Invited Paper: Prediction of Excited State Lifetimes and Properties for OLED Materials Using Quantum Theory: The ORCA Software.

2021 ◽  
Vol 52 (S2) ◽  
pp. 620-620
Author(s):  
Bernardo Souza ◽  
Christoph Riplinger ◽  
Romain Berraud-Pache
Keyword(s):  
Quantum Theory ◽  
Excited State ◽  
Excited State Lifetimes

25‐2: Invited Paper: Predicting Excited State Lifetimes from Scratch Using Quantum Theory: Results from the ORCA Software

2021 ◽  
Vol 52 (1) ◽  
pp. 312-313
Author(s):  
Bernardo de Souza ◽  
Christoph Riplinger ◽  
Romain Berraud-Pache
Keyword(s):  
Quantum Theory ◽  
Excited State ◽  
Excited State Lifetimes

Excited-state lifetimes of [Fe (bipy)3]2+ and [Fe(phen)3]2+

1990 ◽  
Vol 173 (5-6) ◽  
pp. 507-512 ◽  
Author(s):  
Andreas Hauser
Keyword(s):  
Excited State ◽  
Excited State Lifetimes

Ultrafast Spectroscopy of Arylchlorodiazirines: Hammett Correlations of Excited State Lifetimes

2009 ◽  
Vol 131 (46) ◽  
pp. 16652-16653 ◽  
Author(s):  
Yunlong Zhang ◽  
Lei Wang ◽  
Robert A. Moss ◽  
Matthew S. Platz
Keyword(s):  
Excited State ◽  
Ultrafast Spectroscopy ◽  
Excited State Lifetimes

Solvent Effect on the Singlet Excited-State Lifetimes of Nucleic Acid Bases:  A Computational Study of 5-Fluorouracil and Uracil in Acetonitrile and Water

2006 ◽  
Vol 128 (50) ◽  
pp. 16312-16322 ◽  
Author(s):  
Fabrizio Santoro ◽  
Vincenzo Barone ◽  
Thomas Gustavsson ◽  
Roberto Improta
Keyword(s):  
Excited State ◽  
Nucleic Acid ◽  
Solvent Effect ◽  
Computational Study ◽  
Singlet Excited State ◽  
Nucleic Acid Bases ◽  
Excited State Lifetimes

Steric Effects in the Electronic Spectra of the 3,5-Diarylaminobenzene Derivatives

1986 ◽  
Vol 41 (11) ◽  
pp. 1311-1314 ◽  
Author(s):  
A. Balter ◽  
W. Nowak ◽  
P. Milart ◽  
J. Sepioł
Keyword(s):  
Excited State ◽  
Electronic Spectra ◽  
Fluorescence Properties ◽  
Steric Effects ◽  
Quantum Yields ◽  
Spectroscopic Behaviour ◽  
Fluorescence Quantum Yields ◽  
Excited State Lifetimes ◽  
Methyl Phenyl

Absorption and fluorescence properties, excited state lifetimes and fluorescence quantum yields were determined for a series of 3,5-diarylaminobenzene derivatives in solvents of different polarities. The role of the nitrile, methyl, phenyl and naphthyl substituents is discussed. Especially the steric effects on the spectroscopic behaviour of the investigated molecules are studied.

scholarly journals Mono- Versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to Best Performance?

2020 ◽  
Author(s):  
Florian Chotard ◽  
Vasily Sivchik ◽  
Mikko Linnolahti ◽  
Manfred Bochmann ◽  
Alexander Romanov
Keyword(s):  
Excited State ◽  
State Energy ◽  
Conformational Flexibility ◽  
Quantum Yields ◽  
Carbene Ligands ◽  
Lumo Energy ◽  
Excited State Energy ◽  
Excited State Lifetimes

New luminescent “carbene-metal-amide” (CMA) Cu, Ag and Au complexes based on monocyclic (C6) or bicyclic six-ring (BIC6) cyclic (alkyl)(amino)carbene ligands illustrates the effects of LUMO energy stabilization, conformational flexibility and excited state energy on the photoemission properties, leading to near-quantitative quantum yields, short excited state lifetimes Cu > Au > Ag down to 0.5 µs and high radiative rates of 10<sup>6</sup> s<sup>–1</sup>.

Direct measurements of excited-state lifetimes in Mg, Ca, and Sr†

1977 ◽  
Vol 67 (4) ◽  
pp. 488 ◽  
Author(s):  
M. D. Havey ◽  
L. C. Balling ◽  
J. J. Wright
Keyword(s):  
Excited State ◽  
Direct Measurements ◽  
Excited State Lifetimes

Excited state lifetimes and appearance potentials of benzene dimer and trimer

1989 ◽  
Vol 91 (11) ◽  
pp. 6743-6751 ◽  
Author(s):  
Hisanori Shinohara ◽  
Nobuyuki Nishi
Keyword(s):  
Excited State ◽  
Benzene Dimer ◽  
Excited State Lifetimes

scholarly journals Correction to “A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines”

2018 ◽  
Vol 140 (3) ◽  
pp. 1181-1182
Author(s):  
Steven M. Fatur ◽  
Samuel G. Shepard ◽  
Robert F. Higgins ◽  
Matthew P. Shores ◽  
Niels H. Damrauer
Keyword(s):  
Excited State ◽  
Spin States ◽  
Tunable System ◽  
Excited State Lifetimes

Halogenation Affects Driving Forces, Reorganization Energies and “Rocking” Motions in Strained [Fe(tpy)2]2+ Complexes

2021 ◽  
Author(s):  
Hyuk-Yong Kwon ◽  
Daniel Ashley ◽  
Elena Jakubikova
Keyword(s):  
Excited State ◽  
Spin Crossover ◽  
Driving Forces ◽  
Multifunctional Materials ◽  
Iron Based ◽  
Excited State Lifetimes ◽  
Reorganization Energies ◽  
Polypyridine Complexes

Controlling the energetics of spin crossover (SCO) in Fe(II)-polypyridine complexes is critical for designing new multifunctional materials or tuning the excited-state lifetimes of iron-based photosensitizers. It is well established that...

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