Novel Pb(II) complexes: X-ray structures, hirshfeld surface analysis and DFT calculations

Herein we report the synthesis and detailed structural characterization of two new centrosymmetric dinuclear coordination compounds of Pb(II) [Pb2L2(NCS)4] (1) and [Pb2L2(NO3)4]∙2MeOH (2), using the organic ligand 1,2-diphenyl-1,2-bis((methyl(pyridin-2-yl)methylene)hydrazono)ethane (L). In both complexes, each subunit [PbLX2 (X = NO3 or NCS)] adopts a quasi-aromatic Möbius metal chelate structure. Each ligand L is coordinated in a tetradentate coordination mode to Pb(II), yielding the 12π electron chelate ring via two pyridyl-imine units. In compound (1), the coordination sphere is completed by one disordered N,S-coordinated thiocyanate anion and two μ1,1-bridging N-coordinated thiocyanate anions. In compound (2), the coordination sphere of Pb(II) is completed by two monodentate and two bidentate nitrato ligands (two of them acting as bridging ligands). Crystal packing of both compounds is stabilized by intermolecular hydrogen bonds, intra-and intermolecular C–H∙∙∙∏ interactions. The Hirshfeld molecular surfaces of (1) and (2) demonstrate that their packing is dominated by C–H∙∙∙O/N/S interactions as well as by far less favored H∙∙∙H contacts. © 2020 by the authors. Licensee MDPI, Basel, Switzerland.

Авторы
Mahmoudi G. 1 , Seth S.K.2 , Riera A.B.3 , Zubkov F.I. 4 , Frontera A.3
Журнал
Издательство
MDPI AG
Номер выпуска
7
Язык
Английский
Страницы
1-15
Статус
Опубликовано
Номер
568
Том
10
Год
2020
Организации
  • 1 Department of Chemistry, Faculty of Science, University of Maragheh, Maragheh, 55181-83111, Iran
  • 2 Department of Physics, Jadavpur University, Kolkata, 700032, India
  • 3 Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, Palma de Mallorca, Baleares 07122, Spain
  • 4 Organic Chemistry Department, Faculty of Science, Peoples’ Friendship University of Russia, RUDN University, Miklukho-Maklaya Str. 6, Moscow, 117198, Russian Federation
Ключевые слова
DFT calculations; Hirshfeld surface analysis; Noncovalent interactions; Pb(II) complexes
Дата создания
02.11.2020
Дата изменения
02.11.2020
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/64591/
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