Molecular and crystalline architectures based on HgI2: From metallamacrocycles to coordination polymers

Three metallamacrocycles and one coordination polymer were obtained by using coordination driven self-assembly of the HgI2 salt with four different ligands: 2,2′-butan-1,4-diylbis(oxy)dianiline (L1), 1,4-bis(2′-formylphenyl)-1,4-dioxabutane bis(isonicotinoylhydrazone) (L2), (E)-N′-(pyridin-3-ylmethylene)isonicotinohydrazide (L3) and (E)-1-(pyridin-3-yl)-N-(pyridin-3-ylmethyl)methanimine (L4). The coordination compounds were studied by elemental analysis, FT-IR spectroscopy and single-crystal X-ray diffraction analyses. Reaction of the HgI2 salt with L1, L2 and L3 yields metallamacrocycles of formula [(HgI2)2(μ-L1)2] (1), [(HgI2)2(μ-L2)2] (2), [HgI2(μ-L3)]4 (3). In contrast, the reaction with L4 under the same conditions yields a coordination polymer of formula [{HgI2(L4)}]n (4). In addition, the X-ray structure of L2 is also reported. The influence of the flexibility of the ligand on the final shape and nuclearity of the macrocycle is also analysed. Hirshfeld surface analysis and fingerprint plots facilitate a comparison of intermolecular interactions in all compounds, which are crucial in the construction of the supramolecular architectures. Finally, some noncovalent interactions have been evaluated energetically using DFT calculations and characterized using Bader's theory of atoms-in-molecules. © The Royal Society of Chemistry 2017.

Авторы
Mahmoudi G. 1, 2 , Zangrando E.3 , Bauzá A.4 , Maniukiewicz W.5 , Carballo R.6 , Gurbanov A.V. 7 , Frontera A.4
Журнал
Издательство
Royal Society of Chemistry
Номер выпуска
24
Язык
Английский
Страницы
3322-3330
Статус
Опубликовано
Том
19
Год
2017
Организации
  • 1 Department of Chemistry, Faculty of Science, University of Maragheh, P.O. Box 55181-83111, Maragheh, Iran
  • 2 Organic Chemistry Department, RUDN University, 6 Miklukho-Maklaya Str., Moscow, 117198, Russian Federation
  • 3 Department of Chemical and Pharmaceutical Sciences, University of Trieste, Via L. Giorgieri 1, Trieste, 34127, Italy
  • 4 Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, Palma (Baleares), 07122, Spain
  • 5 Faculty of Chemistry, Institute of General and Ecological Chemistry, Lodz University of Technology, Zeromskiego 116, Łódź, 90-924, Poland
  • 6 Departamento de Química Inorgánica, Facultade de Química, Edificio de Ciencias Experimentais, Universidade de Vigo, Vigo Galicia, E-36310, Spain
  • 7 Department of Chemistry, Baku State University, Z. Xalilov Str. 23, Baku, 1148, Azerbaijan
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/6344/