Мақаланы E-mail арқылы жіберу Предиктивное моделирование фотохромизма дифильных спиронафтоксазинов в органических растворителях
- Авторлар: Selivantev Y.M.1,2, Spitsyn N.Y.1, Morozov A.N.1, Mityanov V.S.1, Kutasovich A.V.1, Novikova V.V.1, Raitman O.A.1,2
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Мекемелер:
- Russian Chemical Technical University named after D.I. Mendeleev
- Inst. of Physical Chemistry and Electrochemistry RAS
- Шығарылым: Том 61, № 2 (2025)
- Беттер: 142-153
- Бөлім: НАНОРАЗМЕРНЫЕ И НАНОСТРУКТУРИРОВАННЫЕ МАТЕРИАЛЫ И ПОКРЫТИЯ
- URL: https://journals.rcsi.science/0044-1856/article/view/307820
- DOI: https://doi.org/10.31857/S0044185625020054
- EDN: https://elibrary.ru/kratxh
- ID: 307820
Дәйексөз келтіру
Ашық рұқсат
Рұқсат берілді
Тек жазылушылар үшін
Аннотация
In this work, we present the results of quantum-chemical modeling and experimental studies of the optical properties of difunctional spiropyranoxazines in organic solvents. For the first time, a predictive model was developed for calculating the spectral characteristics of photochromes of this class. It was shown that taking into account multiconfigurational interactions using the CASSCF method provides insight into the complex nature of photoinduced electronic transitions in spiropyranoxazines.
Негізгі сөздер
Авторлар туралы
Y. Selivantev
Russian Chemical Technical University named after D.I. Mendeleev; Inst. of Physical Chemistry and Electrochemistry RAS
Email: raitman.o.a@muctr.ru
Myusskaya Sq., 9, Moscow, 125047 Russia; Leninsky Ave., 31, bldg. 4, Moscow, 119071 Russia
N. Spitsyn
Russian Chemical Technical University named after D.I. Mendeleev
Email: raitman.o.a@muctr.ru
Myusskaya Sq., 9, Moscow, 125047 Russia
A. Morozov
Russian Chemical Technical University named after D.I. Mendeleev
Email: raitman.o.a@muctr.ru
Myusskaya Sq., 9, Moscow, 125047 Russia
V. Mityanov
Russian Chemical Technical University named after D.I. Mendeleev
Email: raitman.o.a@muctr.ru
Myusskaya Sq., 9, Moscow, 125047 Russia
A. Kutasovich
Russian Chemical Technical University named after D.I. Mendeleev
Email: raitman.o.a@muctr.ru
Myusskaya Sq., 9, Moscow, 125047 Russia
V. Novikova
Russian Chemical Technical University named after D.I. Mendeleev
Хат алмасуға жауапты Автор.
Email: raitman.o.a@muctr.ru
Myusskaya Sq., 9, Moscow, 125047 Russia
O. Raitman
Russian Chemical Technical University named after D.I. Mendeleev; Inst. of Physical Chemistry and Electrochemistry RAS
Email: raitman.o.a@muctr.ru
Myusskaya Sq., 9, Moscow, 125047 Russia; Leninsky Ave., 31, bldg. 4, Moscow, 119071 Russia
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