Excited-state relaxation dynamics of Re(I) tricarbonyl complexes with macrocyclic phenanthroline ligands studied by time-resolved IR spectroscopy

2009 ◽  
pp. 3941 ◽  
Author(s):  
Ana María Blanco-Rodríguez ◽  
Michael Towrie ◽  
Jean-Paul Collin ◽  
Stanislav Záliš ◽  
Antonín Vlček Jr.
Keyword(s):  
Excited State ◽  
Ir Spectroscopy ◽  
Relaxation Dynamics ◽  
Time Resolved ◽  
Phenanthroline Ligands

Excited-state dynamics of guanosine in aqueous solution revealed by time-resolved photoelectron spectroscopy: experiment and theory

2015 ◽  
Vol 17 (47) ◽  
pp. 31978-31987 ◽  
Author(s):  
Franziska Buchner ◽  
Berit Heggen ◽  
Hans-Hermann Ritze ◽  
Walter Thiel ◽  
Andrea Lübcke
Keyword(s):  
Aqueous Solution ◽  
Excited State ◽  
Photoelectron Spectroscopy ◽  
Relaxation Dynamics ◽  
Time Resolved ◽  
Excited State Dynamics ◽  
Spectroscopy Experiment

Time-resolved photoelectron spectroscopy is performed on aqueous guanosine solution to study its excited-state relaxation dynamics.

Observation of multi-channel non-adiabatic dynamics in aniline derivatives using time-resolved photoelectron imaging

2016 ◽  
Vol 194 ◽  
pp. 185-208 ◽  
Author(s):  
Magdalena M. Zawadzki ◽  
Marco Candelaresi ◽  
Lisa Saalbach ◽  
Stuart W. Crane ◽  
Martin J. Paterson ◽  
...  
Keyword(s):  
Excited State ◽  
Angular Distributions ◽  
Relaxation Dynamics ◽  
Photoelectron Imaging ◽  
Time Resolved ◽  
Valence States ◽  
Ultimate Fate ◽  
Site Selective ◽  
Photoelectron Angular Distributions ◽  
Electronic Character

We present results from a recent time-resolved photoelectron imaging (TRPEI) study investigating the non-adiabatic relaxation dynamics of N,N-dimethylaniline (N,N-DMA) and 3,5-dimethylaniline (3,5-DMA) following excitation at 240 nm. Analysis of the experimental data is supported by ab initio coupled-cluster calculations evaluating excited state energies and the evolution of several excited state physical properties as a function of N–H/N–CH3 bond extension – a critical reaction coordinate. The use of site-selective methylation brings considerable new insight to the existing body of literature concerning photochemical dynamics in the related system aniline at similar excitation wavelengths. The present work also builds on our own previous investigations in the same species at 250 nm. The TRPEI method provides highly differential energy- and angle-resolved data and, in particular, the temporal evolution of the photoelectron angular distributions afforded by the imaging approach offers much of the new dynamical information. In particular, we see no clear evidence of the second excited 2ππ* state non-adiabatically coupling to the lower-lying S1(ππ*) state or the mixed Rydberg/valence S2(3s/πσ*) state. This, in turn, potentially raises some unresolved questions about the overall nature of the dynamics operating in these systems, especially in regard to the 2ππ* state's ultimate fate. More generally, the findings for the aromatic systems N,N-DMA and 3,5-DMA, taken along with our recent TRPEI results for several aliphatic amine species, highlight interesting questions about the nature of electronic character evolution in mixed Rydberg-valence states as a function of certain key bond extensions and the extent of system conjugation. We begin exploring these ideas computationally for a systematically varied series of tertiary amines.

Direct Observation of a Sulfonyl Azide Excited State and Its Decay Processes by Ultrafast Time-Resolved IR Spectroscopy

2012 ◽  
Vol 134 (16) ◽  
pp. 7036-7044 ◽  
Author(s):  
Jacek Kubicki ◽  
Hoi Ling Luk ◽  
Yunlong Zhang ◽  
Shubham Vyas ◽  
Huo-Lei Peng ◽  
...  
Keyword(s):  
Excited State ◽  
Ir Spectroscopy ◽  
Direct Observation ◽  
Time Resolved ◽  
Sulfonyl Azide

scholarly journals Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations

2015 ◽  
Vol 177 ◽  
pp. 345-362 ◽  
Author(s):  
Artur Nenov ◽  
Javier Segarra-Martí ◽  
Angelo Giussani ◽  
Irene Conti ◽  
Ivan Rivalta ◽  
...  
Keyword(s):  
Excited State ◽  
Electronic Spectroscopy ◽  
Linear Response Theory ◽  
Relaxation Dynamics ◽  
Time Resolved ◽  
Complete Active Space ◽  
Near Ultraviolet ◽  
Quantum Mechanical Description ◽  
Self Consistent Field ◽  
High Level

The SOS//QM/MM [Rivalta et al., Int. J. Quant. Chem., 2014, 114, 85] method consists of an arsenal of computational tools allowing accurate simulation of one-dimensional (1D) and bi-dimensional (2D) electronic spectra of monomeric and dimeric systems with unprecedented details and accuracy. Prominent features like doubly excited local and excimer states, accessible in multi-photon processes, as well as charge-transfer states arise naturally through the fully quantum-mechanical description of the aggregates. In this contribution the SOS//QM/MM approach is extended to simulate time-resolved 2D spectra that can be used to characterize ultrafast excited state relaxation dynamics with atomistic details. We demonstrate how critical structures on the excited state potential energy surface, obtained through state-of-the-art quantum chemical computations, can be used as snapshots of the excited state relaxation dynamics to generate spectral fingerprints for different de-excitation channels. The approach is based on high-level multi-configurational wavefunction methods combined with non-linear response theory and incorporates the effects of the solvent/environment through hybrid quantum mechanics/molecular mechanics (QM/MM) techniques. Specifically, the protocol makes use of the second-order Perturbation Theory (CASPT2) on top of Complete Active Space Self Consistent Field (CASSCF) strategy to compute the high-lying excited states that can be accessed in different 2D experimental setups. As an example, the photophysics of the stacked adenine–adenine dimer in a double-stranded DNA is modeled through 2D near-ultraviolet (NUV) spectroscopy.

scholarly journals Altered relaxation dynamics of excited state reactions by confinement in reverse micelles probed by ultrafast fluorescence up-conversion

2021 ◽  
Author(s):  
Ismael A. Heisler ◽  
Stephen R. Meech
Keyword(s):  
Excited State ◽  
Real Time ◽  
Reverse Micelles ◽  
Reaction Dynamics ◽  
Time Study ◽  
Relaxation Dynamics ◽  
Time Resolved Fluorescence ◽  
Time Resolved

Time resolved fluorescence follows reaction dynamics in real-time. Study of reaction which are sensitive to their environment allowed the effect of confinement to be observed and studied.

Photophysics of phenyleneethynylene metal–organic oligomers. Probing the lowest excited state by time-resolved IR spectroscopy

2001 ◽  
pp. 1834-1835 ◽  
Author(s):  
Keith A. Walters ◽  
Kevin D. Ley ◽  
Kirk S. Schanze ◽  
Dana M. Dattelbaum ◽  
Jon R. Schoonover ◽  
...  
Keyword(s):  
Excited State ◽  
Ir Spectroscopy ◽  
Time Resolved ◽  
Metal Organic

Ligand mediated excited state carrier relaxation dynamics of Cd1−xZnxSe1−ySy NCs derived from bile salts

2017 ◽  
Vol 5 (20) ◽  
pp. 4977-4984 ◽  
Author(s):  
Sayantan Chatterjee ◽  
Uday Maitra
Keyword(s):  
Excited State ◽  
Bile Acid ◽  
Bile Salts ◽  
Single Step ◽  
Relaxation Dynamics ◽  
Time Resolved ◽  
Carrier Relaxation ◽  
Time Resolved Spectroscopy ◽  
Carrier Relaxation Dynamics

Bile acid derived cadmium and zinc precursors were utilized for an efficient and single step synthesis of Cd1−xZnxSe1−ySy NCs. Different capping ligand induced carrier relaxation dynamics of the NCs using time resolved spectroscopy was also studied.

scholarly journals Following the excited state relaxation dynamics of indole and 5-hydroxyindole using time-resolved photoelectron spectroscopy

2011 ◽  
Vol 135 (19) ◽  
pp. 194307 ◽  
Author(s):  
Ruth Livingstone ◽  
Oliver Schalk ◽  
Andrey E. Boguslavskiy ◽  
Guorong Wu ◽  
L. Therese Bergendahl ◽  
...  
Keyword(s):  
Excited State ◽  
Photoelectron Spectroscopy ◽  
Relaxation Dynamics ◽  
Time Resolved
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