Lasagna-like supramolecular polymers derived from the PdII osazone complexes via C(sp2)–H⋯Hal hydrogen bonding

Preparation of the novel PdII osazone complex and its self-assembly into lasagna-like arrays in the solid state via rare C(sp2)–H⋯Hal hydrogen bonding, as well as N–H⋯Ph weak contact is reported. The rare PdII osazone complex was characterized using elemental analyses (C, H, N), ESI-MS, IR, 1H and 13C NMR techniques and X-ray diffraction analysis. The intermolecular non-covalent interactions C–H⋯Cl and N–H⋯Ph responsible for the formation of 1D supramolecular polymeric chains in the crystal were detected and studied by DFT calculations and topological analysis of the electron density distribution within the framework of Bader's theory (QTAIM method). Estimated strength of these non-covalent interactions is 1.3–1.6 kcal/mol. © 2019 Elsevier B.V.

Авторы
Repina O.V.1 , Novikov A.S.2 , Khoroshilova O.V.2 , Kritchenkov A.S. 3 , Vasin A.A.4 , Tskhovrebov A.G. 3, 5
Язык
Английский
Статус
Опубликовано
Номер
119378
Том
502
Год
2020
Организации
  • 1 Moscow Institute of Physics and Technology, Institutsky per. 9, Dolgoprudny, 141700, Russian Federation
  • 2 Saint Petersburg State University, Universitetskaya Nab. 7/9, Saint Petersburg, 199034, Russian Federation
  • 3 Peoples’ Friendship University of Russia, 6 Miklukho-Maklaya Street, Moscow 117198, Russian Federation
  • 4 Lomonosov Moscow State University, Leninskie Gory 1/3, Moscow, 119991, Russian Federation
  • 5 N.N. Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, Ul. Kosygina 4, Moscow, Russian Federation
Ключевые слова
Crystal engineering; DFT; Hydrogen bonding; Non-covalent interactions; Osazones; Palladium; QTAIM; Schiff-base complexes; Supramolecular polymers
Дата создания
10.02.2020
Дата изменения
10.02.2020
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/56515/
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