Dual Emission and Excited-State Mixed-Valence in a Quasi-Symmetric Dinuclear Ru–Ru Complex

2014 ◽  
Vol 53 (24) ◽  
pp. 12947-12961 ◽  
Author(s):  
Christoph Kreitner ◽  
Markus Grabolle ◽  
Ute Resch-Genger ◽  
Katja Heinze
Keyword(s):  
Excited State ◽  
Mixed Valence ◽  
Dual Emission ◽  
Ru Complex

ESIPT fluorophores derived from 2,3-dichloro-5,6-dicyano-p-benzoquinone based carbon dots for dual emission and multiple anti-counterfeiting

2021 ◽  
Vol 23 (1) ◽  
pp. 388-398
Author(s):  
Futao He ◽  
Hai-Bei Li ◽  
Hao Xu ◽  
Jing Bai ◽  
Yanyan Cheng ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Carbon Dots ◽  
Intramolecular Proton Transfer ◽  
Dual Emission

An excited-state intramolecular proton-transfer (ESIPT) active fluorophore is extracted from 2,3-dichloro-5,6-dicyano-p-benzoquinone based carbon dots.

Tunable dual emission in visible and near-infrared spectra using Co2+-doped PbSe nanocrystals embedded in a chalcogenide glass matrix

2016 ◽  
Vol 18 (33) ◽  
pp. 23036-23043 ◽  
Author(s):  
Sidney A. Lourenço ◽  
Ricardo S. Silva ◽  
Noelio O. Dantas
Keyword(s):  
Excited State ◽  
Infrared Spectra ◽  
Glass Matrix ◽  
Near Infrared ◽  
Line Emission ◽  
Energy Transition ◽  
Narrow Line ◽  
Dual Emission ◽  
Broadband Emission ◽  
Near Infrared Spectra

Emission of Co2+-doped PbSe nanocrystals (NCs) present a excited-state crossover from 4T1(P) → 4A2(F) broadband emission to 2E(G) → 4A2(F) narrow-line emission, and its localized energy transition (4A2(F) → 4T1(4F)) can be tunable from band-gap to the conduction-band by change NC size.

scholarly journals Time-Resolved Spectroscopy of the Metal-to-Metal Charge Transfer Excited State in Dinuclear Cyano-Bridged Mixed-Valence Complexes

2005 ◽  
Vol 44 (15) ◽  
pp. 5530-5536 ◽  
Author(s):  
Brendan P. Macpherson ◽  
Paul V. Bernhardt ◽  
Andreas Hauser ◽  
Stéphane Pagès ◽  
Eric Vauthey
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Mixed Valence ◽  
Time Resolved ◽  
Metal Charge ◽  
Time Resolved Spectroscopy ◽  
Metal Charge Transfer

Three-Chromophore Excited-State Mixed Valence

2009 ◽  
Vol 113 (2) ◽  
pp. 456-463 ◽  
Author(s):  
Ryan M. Hoekstra ◽  
Marcelle M. Dibrell ◽  
Michael N. Weaver ◽  
Stephen F. Nelsen ◽  
Jeffrey I. Zink
Keyword(s):  
Excited State ◽  
Mixed Valence

scholarly journals Time-Dependent Long-Range Corrected Density-Functional Tight-Binding Method Combined with the Polarizable Continuum Model

2019 ◽  
Author(s):  
Yoshio Nishimoto
Keyword(s):  
Excited State ◽  
Long Range ◽  
Continuum Model ◽  
Density Functional ◽  
Tight Binding ◽  
Polarizable Continuum Model ◽  
Time Dependent ◽  
Dual Emission ◽  
Tight Binding Method ◽  
Polarizable Continuum

In this study, excited-state free energies and geometries were efficiently evaluated using a linear-response time-dependent long-range corrected density-functional tight-binding method integrated with the polarizable continuum model (TD-LC-DFTB/PCM). Although the LC-DFTB method required the evaluation of the exchange-type term, which was moderately computationally expensive, a single evaluation of the excited-state gradient for a system consisting of more than 1000 atoms in a vacuum was completed within 30 minutes using one CPU core. Benchmark calculations were conducted for 3-hydroxy avone, which exhibits dual emission: the absorption and enol-form emission wavelengths calculated by TD-LC-DFTB/PCM agreed well with those predicted based on density functional theory using a long-range corrected functional; however, there was a large error in the predicted keto-form emission wavelength. Further benchmark calculations for more than 20 molecules indicated that the conventional TD-DFTB method underestimated the absorption and 0-0 transition energies compared with those which were measured experimentally while the TD-LC-DFTB method systematically overestimated these metrics. Nevertheless, the agreement of the results of the TD-LC-DFTB method with those obtained by the CAM-B3LYP method demonstrates the potential of the TD-LC-DFTB/PCM method. Moreover, changing the range-separation parameter to 0.15 minimized this deviation.<br>

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