Matrix isolation, time-resolved IR, and computational study of the photochemistry of benzoyl azideDedicated to Professor Dr Z. R. Grabowski and Professor Dr J. Wirz on the occasions of their 75th and 60th birthdays.Electronic supplementary information (ESI) available: Cartesian coordinates and details of the CASSCF/CASPT2 calculations, details of the excited-state calculations on formylnitrene, the full IR spectra, additional results from the TRIR experiments and two tables with results from CASPT2 calculations with different level shifts. See http://www.rsc.org/suppdata/cp/b2/b209775c/

2002 ◽  
Vol 5 (6) ◽  
pp. 1010-1018 ◽  
Author(s):  
Elena A. Pritchina ◽  
Nina P. Gritsan ◽  
Alexander Maltsev ◽  
Thomas Bally ◽  
Tom Autrey ◽  
...  
Keyword(s):  
Excited State ◽  
Ir Spectra ◽  
Computational Study ◽  
Matrix Isolation ◽  
Supplementary Information ◽  
Time Resolved ◽  
Cartesian Coordinates ◽  
Level Shifts ◽  
Caspt2 Calculations

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 Investigation of excited state, reductive quenching, and intramolecular electron transfer of Ru(ii)–Re(i) supramolecular photocatalysts for CO2reduction using time-resolved IR measurements

2018 ◽  
Vol 9 (11) ◽  
pp. 2961-2974 ◽  
Author(s):  
Kazuhide Koike ◽  
David C. Grills ◽  
Yusuke Tamaki ◽  
Etsuko Fujita ◽  
Kei Okubo ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Excited State ◽  
Ir Spectra ◽  
Fast Electron ◽  
Intramolecular Electron Transfer ◽  
Time Resolved

Time-resolved IR spectra indicated fast electron transfer from the reduced photosensitizer to the catalyst.

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

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.

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>

Sign in / Sign up

Export Citation Format

Share Document