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Интеллектуальная Система Тематического Исследования НАукометрических данных |
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Ferrocene-based Amides, Amines and Alcohols as a Platform for the Design and Synthesis of Redox-active Hybrids: Synthesis, Electrochemical and Computational Studiesстатья
Дата последнего поиска статьи во внешних источниках: 15 мая 2024 г.
- Авторы: Kaverin Mikhail V., Telegina Ludmila N., Rodionov Alexey N., Volodin Alexander D., Borisov Yurii A., Kiselev Sergey S., Snegur Lubov V.
- Журнал: Journal of Molecular Structure
- Год издания: 2024
- Издательство: Elsevier BV
- Местоположение издательства: Netherlands
- Номер статьи: 138584
- DOI: 10.1016/j.molstruc.2024.138584
- Аннотация: Herein we report on the synthesis and characterization of a number of the simplest ferrocenes, namely Fc-amides (4a-i), Fc-amines (5a-i) and Fc-alcohol (1), as starting materials for the synthesis of redox-active ferrocene-modified compounds. Suitable conditions allowed preparing a seria of various ferrocenes with aliphatic and aromatic substituents in good to high yields. The title products were characterized by 1H, 13C NMR, IR, ESI-MS analytical methods. The structure of ferrocenyl(ortho-chlorophenyl) methanol (1) was determined by single-crystal X-ray diffraction. Geometrical parameters in compound 1 were calculated using the ab initio MP2/6-31G* method and based on the advanced DFT calculations, DFT wb97xd/6-31G* and DFT wb97xd/6-311+G*. Electrochemical investigations by cyclic voltammetry revealed reversible redox processes for the ferrocenyl amides. Potentials were also calculated using two basis sets, 6-31G* and 6-311+G*, and demonstrated a high degree of correlation with experimental results.
- Добавил в систему: Снегур Любовь Владимировна
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