UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans-Azobenzene
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F18%3A10391467" target="_blank" >RIV/00216208:11320/18:10391467 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1021/acs.jpclett.8b00152" target="_blank" >https://doi.org/10.1021/acs.jpclett.8b00152</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpclett.8b00152" target="_blank" >10.1021/acs.jpclett.8b00152</a>
Alternative languages
Result language
angličtina
Original language name
UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans-Azobenzene
Original language description
We combine sub-20 fs transient absorption spectroscopy with state-of-the-art computations to study the ultrafast photoinduced dynamics of trans-azobenzene (AB). We are able to resolve the lifetime of the pi pi* state, whose decay within ca. 50 fs is correlated to the buildup of the n pi* population and to the emergence of coherences in the dynamics, to date unobserved. Nonlinear spectroscopy simulations call for the CNN in-plane bendings as the active modes in the subps photoinduced coherent dynamics out of the pi pi* state. Radiative to kinetic energy transfer into these modes drives the system to a high-energy planar n pi*/ground state conical intersection, inaccessible upon direct excitation of the lie state, that triggers an ultrafast (0.45 ps) nonproductive decay of the n pi* state and is thus responsible for the observed Kasha rule violation in UV excited trans-AB. On the other hand, cis-AB is built only after intramolecular vibrational energy redistribution and population of the NN torsional mode.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10300 - Physical sciences
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry Letters
ISSN
1948-7185
e-ISSN
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Volume of the periodical
9
Issue of the periodical within the volume
7
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
1534-1541
UT code for WoS article
000429626900012
EID of the result in the Scopus database
2-s2.0-85044990472