scholarly journals Computer Simulations of Viscosity Dependent Molecular Relaxation Processes

1985 ◽  
Vol 5 (3) ◽  
pp. 119-132 ◽  
Author(s):  
M. Kaschke ◽  
J. Kleinschmidt ◽  
B. Wilhelmi
Keyword(s):  
Excited State ◽  
Organic Dye ◽  
Relaxation Processes ◽  
Dye Molecules ◽  
Excited State Lifetime ◽  
Molecular Relaxation ◽  
Relaxation Transitions ◽  
Theoretical Investigations ◽  
Excited State Population ◽  
Viscosity Dependence

The dependence of excited-state lifetime, fluorescence quantum yield and isomerization rate of organic dye molecules on solvent viscosity has been a subject of numerous experimental and theoretical investigations. To explain the viscosity dependence of excited-state lifetime in this paper the temporal behavior of the excited state population is calculated for several models of the molecular relaxation process by a computer simulation incorporating both the stochastical motion of large molecular parts in the excited state and relaxation transitions. The described method is applicable to calculating the probability of changing the electronic state as a function of time and internal rotation coordinate.

Excited-state relaxation processes in polymethine dye molecules in polymeric media

1996 ◽  
Vol 69 (2) ◽  
pp. 105-113 ◽  
Author(s):  
O. Przhonska ◽  
Yu. Slominsky ◽  
U. Stahl ◽  
S. Daehne
Keyword(s):  
Excited State ◽  
Relaxation Processes ◽  
Dye Molecules ◽  
Polymethine Dye ◽  
Polymeric Media

Perspectives on ab initio molecular simulation of excited-state properties of organic dye molecules in dye-sensitised solar cells

2012 ◽  
Vol 14 (35) ◽  
pp. 12044 ◽  
Author(s):  
Saurabh Agrawal ◽  
Niall J. English ◽  
K. Ravindranathan Thampi ◽  
J. M. D. MacElroy
Keyword(s):  
Solar Cells ◽  
Excited State ◽  
Ab Initio ◽  
Molecular Simulation ◽  
Organic Dye ◽  
Dye Molecules

scholarly journals Ultrafast Photoconversion Dynamics of the Knotless Phytochrome SynCph2

2021 ◽  
Vol 22 (19) ◽  
pp. 10690
Author(s):  
Tobias Fischer ◽  
Luuk J. G. W. van Wilderen ◽  
Petra Gnau ◽  
Jens Bredenbeck ◽  
Lars-Oliver Essen ◽  
...  
Keyword(s):  
Excited State ◽  
Ground State ◽  
Binding Pocket ◽  
Relaxation Processes ◽  
Pas Domain ◽  
Excited State Lifetime ◽  
General Reaction ◽  
The Family ◽  
Core Module ◽  
Kinetic Features

The family of phytochrome photoreceptors contains proteins with different domain architectures and spectral properties. Knotless phytochromes are one of the three main subgroups classified by their distinct lack of the PAS domain in their photosensory core module, which is in contrast to the canonical PAS-GAF-PHY array. Despite intensive research on the ultrafast photodynamics of phytochromes, little is known about the primary kinetics in knotless phytochromes. Here, we present the ultrafast Pr ⇆ Pfr photodynamics of SynCph2, the best-known knotless phytochrome. Our results show that the excited state lifetime of Pr* (~200 ps) is similar to bacteriophytochromes, but much longer than in most canonical phytochromes. We assign the slow Pr* kinetics to relaxation processes of the chromophore-binding pocket that controls the bilin chromophore’s isomerization step. The Pfr photoconversion dynamics starts with a faster excited state relaxation than in canonical phytochromes, but, despite the differences in the respective domain architectures, proceeds via similar ground state intermediate steps up to Meta-F. Based on our observations, we propose that the kinetic features and overall dynamics of the ultrafast photoreaction are determined to a great extent by the geometrical context (i.e., available space and flexibility) within the binding pocket, while the general reaction steps following the photoexcitation are most likely conserved among the red/far-red phytochromes.

High-gain and wide-band optical amplifications induced by a coupled excited state of organic dye molecules co-doped in polymer waveguide

2018 ◽  
Vol 43 (8) ◽  
pp. 1714 ◽  
Author(s):  
Youtaro Higase ◽  
Shinya Morita ◽  
Toshiyuki Fujii ◽  
Shun Takahashi ◽  
Kenichi Yamashita ◽  
...  
Keyword(s):  
Excited State ◽  
Wide Band ◽  
High Gain ◽  
Organic Dye ◽  
Dye Molecules ◽  
Polymer Waveguide ◽  
Co Doped

Calculation of the viscosity dependence of the excited-state lifetime in pinacyanol solution

1984 ◽  
Vol 106 (5) ◽  
pp. 428-430 ◽  
Author(s):  
M. Kaschke ◽  
J. Kleinschmidt ◽  
B. Wilhelmi
Keyword(s):  
Excited State ◽  
Excited State Lifetime ◽  
Viscosity Dependence

scholarly journals Thermochromic aggregation-induced dual phosphorescence via temperature-dependent sp3-linked donor-acceptor electronic coupling

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Tao Wang ◽  
Zhubin Hu ◽  
Xiancheng Nie ◽  
Linkun Huang ◽  
Miao Hui ◽  
...  
Keyword(s):  
Excited State ◽  
Room Temperature ◽  
Electronic Coupling ◽  
Temperature Dependent ◽  
Molecular Systems ◽  
Donor And Acceptor ◽  
Theoretical Investigations ◽  
Donor Acceptor ◽  
And Control ◽  
Two Temperature

AbstractAggregation-induced emission (AIE) has proven to be a viable strategy to achieve highly efficient room temperature phosphorescence (RTP) in bulk by restricting molecular motions. Here, we show that by utilizing triphenylamine (TPA) as an electronic donor that connects to an acceptor via an sp3 linker, six TPA-based AIE-active RTP luminophores were obtained. Distinct dual phosphorescence bands emitting from largely localized donor and acceptor triplet emitting states could be recorded at lowered temperatures; at room temperature, only a merged RTP band is present. Theoretical investigations reveal that the two temperature-dependent phosphorescence bands both originate from local/global minima from the lowest triplet excited state (T1). The reported molecular construct serves as an intermediary case between a fully conjugated donor-acceptor system and a donor/acceptor binary mix, which may provide important clues on the design and control of high-freedom molecular systems with complex excited-state dynamics.

scholarly journals Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine

2021 ◽  
pp. 4339-4346
Author(s):  
Woojin Park ◽  
Seunghoon Lee ◽  
Miquel Huix-Rotllant ◽  
Michael Filatov ◽  
Cheol Ho Choi
Keyword(s):  
Excited State ◽  
Electron Correlation ◽  
Excited State Lifetime

Measurement of excited-state lifetime using two-pulse photon echoes in rubidium vapor

2007 ◽  
Vol 24 (3) ◽  
pp. 671 ◽  
Author(s):  
E. A. Rotberg ◽  
B. Barrett ◽  
S. Beattie ◽  
S. Chudasama ◽  
M. Weel ◽  
...  
Keyword(s):  
Excited State ◽  
Excited State Lifetime ◽  
Rubidium Vapor ◽  
Photon Echoes ◽  
Pulse Photon
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