Time-resolved photoelectron spectra as probe of excited state dynamics: A full quantum study of the Na2F cluster

2003 ◽  
Vol 118 (3) ◽  
pp. 1282-1291 ◽  
Author(s):  
Marie-Catherine Heitz ◽  
Gérard Durand ◽  
Fernand Spiegelman ◽  
Christoph Meier
Keyword(s):  
Excited State ◽  
Photoelectron Spectra ◽  
Time Resolved ◽  
Excited State Dynamics ◽  
Full Quantum

scholarly journals Signatures of Conical Intersection Dynamics in the Time-Resolved Photoelectron Spectrum of Furan: Theoretical Modeling with an Ensemble Density Functional Theory Method

2021 ◽  
Vol 22 (8) ◽  
pp. 4276
Author(s):  
Michael Filatov ◽  
Seunghoon Lee ◽  
Hiroya Nakata ◽  
Cheol-Ho Choi
Keyword(s):  
Excited State ◽  
Ground State ◽  
Density Functional ◽  
Binding Energies ◽  
Photoelectron Spectra ◽  
Time Resolved ◽  
Excited State Dynamics ◽  
Wide Range ◽  
Electron Binding Energies ◽  
Electron Binding

The non-adiabatic dynamics of furan excited in the ππ* state (S2 in the Franck–Condon geometry) was studied using non-adiabatic molecular dynamics simulations in connection with an ensemble density functional method. The time-resolved photoelectron spectra were theoretically simulated in a wide range of electron binding energies that covered the valence as well as the core electrons. The dynamics of the decay (rise) of the photoelectron signal were compared with the excited-state population dynamics. It was observed that the photoelectron signal decay parameters at certain electron binding energies displayed a good correlation with the events occurring during the excited-state dynamics. Thus, the time profile of the photoelectron intensity of the K-shell electrons of oxygen (decay constant of 34 ± 3 fs) showed a reasonable correlation with the time of passage through conical intersections with the ground state (47 ± 2 fs). The ground-state recovery constant of the photoelectron signal (121 ± 30 fs) was in good agreement with the theoretically obtained excited-state lifetime (93 ± 9 fs), as well as with the experimentally estimated recovery time constant (ca. 110 fs). Hence, it is proposed to complement the traditional TRPES observations with the trXPS (or trNEXAFS) measurements to obtain more reliable estimates of the most mechanistically important events during the excited-state dynamics.

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.

scholarly journals Outer-sphere effects on ligand-field excited-state dynamics: solvent dependence of high-spin to low-spin conversion in [Fe(bpy)3]2+

2020 ◽  
Vol 11 (20) ◽  
pp. 5191-5204 ◽  
Author(s):  
Jennifer N. Miller ◽  
James K. McCusker
Keyword(s):  
Excited State ◽  
Reorganization Energy ◽  
Outer Sphere ◽  
Ligand Field ◽  
Spin Conversion ◽  
Energy Effect ◽  
Time Resolved ◽  
Excited State Dynamics ◽  
State Recovery ◽  
Solvent Dependence

Time-resolved spectroscopic measurements of ground-state recovery for [Fe(bpy)3]2+ reveal that the solvent can induce an outer-sphere reorganization energy effect on excited-state dynamics involving metal-centered ligand-field electronic states.

scholarly journals Ultrafast excited-state dynamics in photochromic N-salicylideneaniline studied by femtosecond time-resolved REMPI spectroscopy

2004 ◽  
Vol 121 (19) ◽  
pp. 9436-9442 ◽  
Author(s):  
Chie Okabe ◽  
Takakazu Nakabayashi ◽  
Yoshiya Inokuchi ◽  
Nobuyuki Nishi ◽  
Hiroshi Sekiya
Keyword(s):  
Excited State ◽  
Time Resolved ◽  
Excited State Dynamics

scholarly journals Ballistic excited state dynamics revealed by polarized fs-XANES

2019 ◽  
Vol 205 ◽  
pp. 05014 ◽  
Author(s):  
Roseanne J. Sension ◽  
Nicholas A. Miller ◽  
Aniruddha Deb ◽  
Roberto Alonso-Mori ◽  
James M. Glownia ◽  
...  
Keyword(s):  
Excited State ◽  
Time Resolved ◽  
Edge Structure ◽  
X Ray ◽  
Excited State Dynamics ◽  
X Ray Absorption

Polarized time-resolved X-ray absorption near edge structure (XANES) is used to characterize the sequential ballistic excited state dynamics of two B12 vitamers: cyanocobalamin and adenosylcobalamin. Excitation at 550 nm and 365 nm is used to resolve axial and equatorial contributions to the excited state dynamics.

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