Photochemical mechanism of DEACM uncaging: a combined time-resolved spectroscopic and computational study

2020 ◽  
Vol 22 (24) ◽  
pp. 13418-13430
Author(s):  
C. Hamerla ◽  
C. Neumann ◽  
K. Falahati ◽  
J. von Cosel ◽  
L. J. G. W. van Wilderen ◽  
...  
Keyword(s):  
Excited State ◽  
Time Scales ◽  
Computational Study ◽  
Computational Studies ◽  
Time Resolved ◽  
Leaving Groups ◽  
Different Time Scales

Combined spectroscopic and computational studies elucidate excited-state photocleavage in DEACM cages, explaining vastly different time scales for different leaving groups.

scholarly journals Imaging large amplitude out-of-plane motion in photoexcited pentafluorobenzene using time-resolved photoelectron spectroscopy: a computational study

2018 ◽  
Vol 17 (8) ◽  
pp. 1036-1048
Author(s):  
Matthieu Sala ◽  
Dassia Egorova
Keyword(s):  
Excited State ◽  
Photoelectron Spectroscopy ◽  
Large Amplitude ◽  
Computational Study ◽  
Plane Motion ◽  
Time Resolved ◽  
Excited State Dynamics ◽  
Out Of Plane

We present simulations of the excited state dynamics and time-resolved photoelectron spectroscopy of photoexcited pentafluorobenzene.

scholarly journals Time Resolved Spectroscopy of AM CVn

1989 ◽  
Vol 114 ◽  
pp. 458-461 ◽  
Author(s):  
C. Lázaro ◽  
J.-E. Solheim ◽  
M.J. Arévalo
Keyword(s):  
Time Scales ◽  
White Dwarf ◽  
Time Resolved ◽  
Time Resolved Spectroscopy ◽  
Preliminary Results ◽  
Different Time Scales

AbstractThe preliminary results of time resolved spectroscopy of the He White Dwarf system AM CVn are presented. We have searched for spectral variations at different photometric periods. These are found at different time scales although this does not particularly favour any of the searched periods.

Exposing the Excited-State Equilibrium in an IrIIIBichromophore: A Combined Time Resolved Spectroscopy and Computational Study

2016 ◽  
Vol 2016 (12) ◽  
pp. 1808-1818 ◽  
Author(s):  
James E. Yarnell ◽  
Catherine E. McCusker ◽  
Alexander J. Leeds ◽  
Josué M. Breaux ◽  
Felix N. Castellano
Keyword(s):  
Excited State ◽  
Computational Study ◽  
Time Resolved ◽  
State Equilibrium ◽  
Time Resolved Spectroscopy

Agent-Based Computational Model

2017 ◽  
Author(s):  
Joshua M. Epstein
Keyword(s):  
Computational Model ◽  
Bounded Rationality ◽  
Time Scales ◽  
Spatially Explicit ◽  
Agent Based ◽  
Affective Component ◽  
Elementary Type ◽  
Social Component ◽  
Different Time Scales

This part describes the agent-based and computational model for Agent_Zero and demonstrates its capacity for generative minimalism. It first explains the replicability of the model before offering an interpretation of the model by imagining a guerilla war like Vietnam, Afghanistan, or Iraq, where events transpire on a 2-D population of contiguous yellow patches. Each patch is occupied by a single stationary indigenous agent, which has two possible states: inactive and active. The discussion then turns to Agent_Zero's affective component and an elementary type of bounded rationality, as well as its social component, with particular emphasis on disposition, action, and pseudocode. Computational parables are then presented, including a parable relating to the slaughter of innocents through dispositional contagion. This part also shows how the model can capture three spatially explicit examples in which affect and probability change on different time scales.

Visualization and Manipulation of Molecular Motion in Solid State through Photo-Induced Clusteroluminescence

2019 ◽  
Author(s):  
Haoke Zhang ◽  
Lili Du ◽  
Lin Wang ◽  
Junkai Liu ◽  
Qing Wan ◽  
...  
Keyword(s):  
Quantum Mechanics ◽  
Excited State ◽  
Solid State ◽  
Light Source ◽  
Molecular Motion ◽  
Molecular Machine ◽  
Conjugated Molecules ◽  
Time Resolved ◽  
Packing Structure ◽  
New Strategy

<p>Building molecular machine has long been a dream of scientists as it is expected to revolutionize many aspects of technology and medicine. Implementing the solid-state molecular motion is the prerequisite for a practical molecular machine. However, few works on solid-state molecular motion have been reported and it is almost impossible to “see” the motion even if it happens. Here the light-driven molecular motion in solid state is discovered in two non-conjugated molecules <i>s</i>-DPE and <i>s</i>-DPE-TM, resulting in the formation of excited-state though-space complex (ESTSC). Meanwhile, the newly formed ESTSC generates an abnormal visible emission which is termed as clusteroluminescence. Notably, the original packing structure can recover from ESTSC when the light source is removed. These processes have been confirmed by time-resolved spectroscopy and quantum mechanics calculation. This work provides a new strategy to manipulate and “see” solid-state molecular motion and gains new insights into the mechanistic picture of clusteroluminescence.<br></p>

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