Femtosecond spectroscopy of the dithiolate Cu(ii) and Ni(ii) complexes

2014 ◽  
Vol 43 (47) ◽  
pp. 17766-17774 ◽  
Author(s):  
Victor F. Plyusnin ◽  
Ivan P. Pozdnyakov ◽  
Vjacheslav P. Grivin ◽  
Aleksey I. Solovyev ◽  
Helge Lemmetyinen ◽  
...  
Keyword(s):  
Excited States ◽  
Femtosecond Spectroscopy ◽  
Ultrafast Dynamics

Femtosecond spectroscopy was applied to study the ultrafast dynamics for the excited states of dithiolate Cu(ii) and Ni(ii) complexes.

Ultrafast Dynamics of BiFeO3 Thin Films Studied by Dual-Color Femtosecond Spectroscopy

2010 ◽  
Vol 24 (1-2) ◽  
pp. 731-734 ◽  
Author(s):  
L. Y. Chen ◽  
J. C. Yang ◽  
H. C. Shih ◽  
C. W. Liang ◽  
T.-Y. Wu ◽  
...  
Keyword(s):  
Thin Films ◽  
Femtosecond Spectroscopy ◽  
Ultrafast Dynamics ◽  
Bifeo3 Thin Films ◽  
Dual Color

scholarly journals Ultrafast dynamics in polycyclic aromatic hydrocarbons: the key case of conical intersections at higher excited states and their role in the photophysics of phenanthrene monomer

2019 ◽  
Vol 21 (31) ◽  
pp. 16981-16988 ◽  
Author(s):  
M. Nazari ◽  
C. D. Bösch ◽  
A. Rondi ◽  
A. Francés-Monerris ◽  
M. Marazzi ◽  
...  
Keyword(s):  
Excited State ◽  
Excited States ◽  
Aromatic Hydrocarbons ◽  
Ultrafast Dynamics ◽  
Simultaneous Presence ◽  
Conical Intersections ◽  
Polycyclic Aromatic ◽  
Adiabatic Transitions ◽  
Proper Interpretation ◽  
Higher Excited States

Proper interpretation of phenanthrene's and similar PAHs’ photocycle relies on two higher excited state relaxations due to the simultaneous presence of non-adiabatic and adiabatic transitions.

Femtosecond spectroscopy and TD-DFT calculations of CuCl42− excited states

2014 ◽  
Vol 43 (47) ◽  
pp. 17820-17827 ◽  
Author(s):  
Elena N. Golubeva ◽  
Ekaterina M. Zubanova ◽  
Michail Ya. Melnikov ◽  
Fedor E. Gostev ◽  
Ivan V. Shelaev ◽  
...  
Keyword(s):  
Steady State ◽  
Dft Calculations ◽  
Excited States ◽  
Transient Absorption ◽  
Femtosecond Spectroscopy ◽  
Transient Absorption Spectroscopy ◽  
Femtosecond Transient Absorption ◽  
Td Dft ◽  
Femtosecond Transient Absorption Spectroscopy ◽  
Photoinduced Processes

Photoinduced processes of tetrahexylammonium tetrachlorocuprate [(C6H13)4N]2CuIICl4 in chloro-organic solvents were investigated by steady state photolysis and femtosecond transient absorption spectroscopy, as well as TD-DFT calculations of excited terms.

Ultrafast dynamics of holes in GaAs probed by two-color femtosecond spectroscopy

1998 ◽  
Vol 73 (1) ◽  
pp. 64-66 ◽  
Author(s):  
F. Ganikhanov ◽  
K. C. Burr ◽  
C. L. Tang
Keyword(s):  
Femtosecond Spectroscopy ◽  
Ultrafast Dynamics

Ultrafast dynamics of ligand-field excited states

2006 ◽  
Vol 250 (13-14) ◽  
pp. 1783-1791 ◽  
Author(s):  
Eric A. Juban ◽  
Amanda L. Smeigh ◽  
Jeremy E. Monat ◽  
James K. McCusker
Keyword(s):  
Excited States ◽  
Ligand Field ◽  
Ultrafast Dynamics

scholarly journals Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases

Molecules ◽  
2021 ◽  
Vol 26 (6) ◽  
pp. 1743
Author(s):  
James A. Green ◽  
Martha Yaghoubi Jouybari ◽  
Daniel Aranda ◽  
Roberto Improta ◽  
Fabrizio Santoro
Keyword(s):  
Absorption Spectra ◽  
Excited States ◽  
Quantum Dynamics ◽  
Density Functional ◽  
Basis Set ◽  
Ultrafast Dynamics ◽  
Effective Population ◽  
Dna And Rna ◽  
Vibronic Spectra ◽  
Effective Wave

We have recently proposed a protocol for Quantum Dynamics (QD) calculations, which is based on a parameterisation of Linear Vibronic Coupling (LVC) Hamiltonians with Time Dependent (TD) Density Functional Theory (TD-DFT), and exploits the latest developments in multiconfigurational TD-Hartree methods for an effective wave packet propagation. In this contribution we explore the potentialities of this approach to compute nonadiabatic vibronic spectra and ultrafast dynamics, by applying it to the five nucleobases present in DNA and RNA. For all of them we computed the absorption spectra and the dynamics of ultrafast internal conversion (100 fs timescale), fully coupling the first 2–3 bright states and all the close by dark states, for a total of 6–9 states, and including all the normal coordinates. We adopted two different functionals, CAM-B3LYP and PBE0, and tested the effect of the basis set. Computed spectra are in good agreement with the available experimental data, remarkably improving over pure electronic computations, but also with respect to vibronic spectra obtained neglecting inter-state couplings. Our QD simulations indicate an effective population transfer from the lowest energy bright excited states to the close-lying dark excited states for uracil, thymine and adenine. Dynamics from higher-energy states show an ultrafast depopulation toward the more stable ones. The proposed protocol is sufficiently general and automatic to promise to become useful for widespread applications.

scholarly journals Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study

2020 ◽  
Vol 16 (9) ◽  
pp. 5792-5808 ◽  
Author(s):  
Martha Yaghoubi Jouybari ◽  
Yanli Liu ◽  
Roberto Improta ◽  
Fabrizio Santoro
Keyword(s):  
Excited States ◽  
Ultrafast Dynamics ◽  
Dynamical Study ◽  
Quantum Dynamical
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