Peripheral functionalisation of a stable phthalocyanine J-type dimer to control the aggregation behaviour and NLO properties: UV-Vis, fluorescence, DFT, TDHF and thermal study

Tolbin, A.Y.; Dzuban, A.V.; Shestov, V.I.; Gudkova, Y.I.; Brel, V.K.; Tomilova, L.G.; Zefirov, N.S.

Статья опубликована в высокорейтинговом журнале

Информация о цитировании статьи получена из Web of Science, Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 2 апреля 2015 г.

Авторы: Tolbin A.Yu, Dzuban A.V., Shestov V.I., Gudkova Y.I., Brel V.K., Tomilova L.G., Zefirov N.S.
Журнал: RSC advances
Том: 5
Год издания: 2015
Издательство: Royal Society of Chemistry
Местоположение издательства: United Kingdom
Первая страница: 8239
Последняя страница: 8247
DOI: 10.1039/c4ra15239e
Аннотация: This novel research opens the possibility of controlling the spectral, fluorescent and non-linear optical (NLO) properties of stable J-type phthalocyanine dimers. In our group, thermally and chemically stable supramolecular J-type dimers, based on low-symmetry phthalocyanine macrocycles, have been synthesised for the first time, and the present work is a fruitful continuation of the initiated studies. Using an example of a dimeric magnesium complex, consisting of the same anti-parallel oriented 2-hydroxy-9,10,16,17,23,24-hexabutylphthalocyanine macrocycles, we first demonstrated the ability of stable phthalocyanine J-dimers to undergo peripheral functionalisation. UV-Vis, fluorescence and DFT studies showed that when -(diethylphosphoryl)-4-methylpenta-1,3-dienyl-3-oxy-moieties are introduced into a dimer structure, the intermolecular association of large molecules varies significantly, tending to ordering. Simulation of the nonlinear optical properties with the TDHF/6-311++G** theoretical approximation has shown that the chemical alteration of a dimeric structure results in an increasing polarisability (a), first hyperpolarisability (b) and an angle q(m,bmax) between the dipole moment m and the main direction of the charge-transfer transiti on bmax.
Добавил в систему: Зефиров Николай Серафимович

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Peripheral functionalisation of a stable phthalocyanine J-type dimer to control the aggregation behaviour and NLO properties: UV-Vis, fluorescence, DFT, TDHF and thermal studyстатья

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