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Clamshell-type Bis-phthalocyanine with Tetrachlorocyclotriphosphazene Intramolecular Bridge: Synthesis and Structural Evaluation by DFT, NMR and Optical Spectroscopyстатья
- Авторы: Tolbin Alexander Yu, Tarasevich Boris N., Beklemishev Mikhail K., Brel Valery K., Pushkarev Victor E.
- Журнал: ChemistrySelect
- Том: 7
- Год издания: 2022
- Номер статьи: e202201065
- DOI: 10.1002/slct.202201065
- Аннотация: An interaction of 2-hydroxy-9(10),16(17),23(24)-tri-tert-butyl-29H,31H-phthalocyanine (1) with hexachlorocyclotriphosphazene (phosphonitrilic chloride trimer) produced, along with theA3B type low-symmetry monophthalocyanine (monomer 2), a bis-derivative 3 with spectral characteristics such as that of most clamshell-type phthalocyanines (typically, H-dimers). The reaction can be considered conditionally selective. DFT calculations showed the possibility of the existence of several isomers. Based on the UV-Vis, fluorescent and NMR studies, we found that 3 was obtained as an inseparable mixture of threediastereomers-achiral cis-isomer and two chiral trans-isomers. DFT analysis has also shown that cis-isomer can exist as two rotamers-parallel and oblique, by an analogy with the cofacial Jtypedimers that we obtained earlier.
- Добавил в систему: Брель Валерий Кузьмич
Прикрепленные файлы
| № | Имя | Описание | Имя файла | Размер | Добавлен |
|---|---|---|---|---|---|
| 1. | ekp_zak_.pdf | ekp_zak_.pdf | 118,8 КБ | 10 августа 2022 [BrelVK] | |
| 2. | ChemSelect_2022_7_e202201065.pdf | ChemSelect_2022_7_e202201065.pdf | 3,5 МБ | 9 августа 2022 [BrelVK] |