Attractive fluorine···fluorine interactions between perfluorinated alkyl chains: A case of perfluorinated Cu(II) diiminate Cu[C2F5-C(NH)-CF=C(NH)-CF3]2

A synthesis of the perfluorinated copper diiminate complex Cu[C2F5-C(NH)-CF=C(NH)-CF3]2 (3) and its self-assembly into infinite 1D chains in the crystal via Type II C(sp3)-F···F-C(sp3) contacts between perfluoroethyl substituents is reported. Rare Type II F···F interactions were studied by DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method). This is the first report which discusses Type II contacts between perfuoroalkyl chains. © 2021 Walter de Gruyter GmbH, Berlin/Boston 2021.

Авторы
Издательство
Walter de Gruyter GmbH
Язык
Английский
Статус
Опубликовано
Год
2021
Организации
  • 1 Peoples' Friendship University of Russia, 6 Miklukho-Maklaya Street, Moscow, 117198, Russian Federation
  • 2 N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky Prosp., Moscow, Russian Federation
  • 3 Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, Russian Federation
  • 4 Saint Petersburg State University, Universitetskaya Nab. 7/9, Saint Petersburg, 199034, Russian Federation
  • 5 N. N. Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, Ul. Kosygina 4, Moscow, Russian Federation
Ключевые слова
copper(II); DFT calculations; fluorine-fluorine interactions; non-covalent interactions; perfluorinated diiminates; X-ray diffraction
Дата создания
20.04.2021
Дата изменения
20.04.2021
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/72220/
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