Internal conversion as second order process with electric dipole operator; Chemical Physics Letters; Vol. 836

Detalles Bibliográficos
Parent link:Chemical Physics Letters.— .— Amsterdam: Elsevier Science Publishing Company Inc.
Vol. 836.— 2024.— Article number 141032, 5 p.
Autor Corporativo: National Research Tomsk Polytechnic University
Otros Autores: Merzlikin B. S. Boris Sergeevich, Cherepanov V. N. Viktor Nikolaevich, Khoroshkin K., Valiev R. R. Rashid Rinatovich
Sumario:Title screen
Classical consideration of internal conversion (IC) is one step process with the nonadiabatic coupled operator within the first order perturbation theory between the initial and final electronic states. We suggest considering the IC as the second order two step process with the electric dipole operator (d). Within this approximation the initial state is excited electronic state and the final one is the ground electronic state. The electronic excited energy in converted into the excitation of C-C bonds with the virtual photon emission at the first step. After that the virtual photon is absorbed by X-H (X = C, N and O) bonds. This mechanism can be important for the influence of external field on the IC process, too. It is called the induced effect. Estimation of two step process with d operator for two compounds: Azatrioxa[8]circulene (ATOC) and heptamethine cyanine (IR808) shows that this effect is noticeable when the external electric field is about 108 V/m - 109 V/m and the energy gap between the initial and final electronic states is about 10000–12000 cm−1
Текстовый файл
AM_Agreement
Lenguaje:inglés
Publicado: 2024
Materias:
Acceso en línea:https://doi.org/10.1016/j.cplett.2023.141032
Formato: Electrónico Capítulo de libro
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=672397

MARC

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330 |a Classical consideration of internal conversion (IC) is one step process with the nonadiabatic coupled operator within the first order perturbation theory between the initial and final electronic states. We suggest considering the IC as the second order two step process with the electric dipole operator (d). Within this approximation the initial state is excited electronic state and the final one is the ground electronic state. The electronic excited energy in converted into the excitation of C-C bonds with the virtual photon emission at the first step. After that the virtual photon is absorbed by X-H (X = C, N and O) bonds. This mechanism can be important for the influence of external field on the IC process, too. It is called the induced effect. Estimation of two step process with d operator for two compounds: Azatrioxa[8]circulene (ATOC) and heptamethine cyanine (IR808) shows that this effect is noticeable when the external electric field is about 108 V/m - 109 V/m and the energy gap between the initial and final electronic states is about 10000–12000 cm−1 
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