The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds

In this study, nine mercury(ii) complexes of the composition [Hg(Ln)(X)2] (X = Cl, Br and I, n = 1-3), (L1 = 2-pyridine piconyl hydrazone); L2 = (2-acetylpyridine piconyl hydrazone) and L3 = (2-phenylpyridine piconyl hydrazone) are synthesized and spectroscopically characterized. Single-crystal X-ray crystallography showed that the molecular complexes can aggregate into larger entities depending upon the anion coordinated to the metal centre. Moreover, Hirshfeld surface (HS) analyses were employed to gain additional insight into interactions responsible for the packing of complexes 1-9. Quantitative examination of 2D fingerprint plots revealed, among others, the dominating participation of H⋯H and H⋯X interactions in the molecular packing. Moreover, C-H⋯X hydrogen bonds, π-π, and chelate-ring-π interactions are described and analysed by means of density functional theory (DFT) calculations since they play an important role in the construction of three-dimensional supramolecular frameworks. The influence of the halide on the energetic features of the assemblies has been also studied. © The Royal Society of Chemistry.

Авторы
Mahmoudi G.1 , Bauzá A.2 , Gurbanov A.V.3 , Zubkov F.I. 4 , Maniukiewicz W.5 , Rodríguez-Diéguez A.6 , López-Torres E.7 , Frontera A.2
Журнал
Издательство
Royal Society of Chemistry
Номер выпуска
47
Язык
Английский
Страницы
9056-9066
Статус
Опубликовано
Том
18
Год
2016
Организации
  • 1 Department of Chemistry, Faculty of Science, University of Maragheh, P.O. Box 55181-83111, Maragheh, Iran
  • 2 Departamento de Quimica, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, Palma de Mallorca (Baleares), 07122, Spain
  • 3 Department of Chemistry, Baku State University, Z. Xalilov Str. 23, Baku, Az 1148, Azerbaijan
  • 4 Organic Chemistry Department, RUDN University, 6 Miklukho-Maklaya St, Moscow, 117198, Russian Federation
  • 5 Institute of General and Ecological Chemistry, Faculty of Chemistry, Lodz University of Technology, Żeromskiego 116, Łódź, 90-924, Poland
  • 6 Department of Inorganic Chemistry, University of Granada, Avda Fuentenueva s/n, Granada, 18071, Spain
  • 7 Departamento de Química Inorgánica, Facultad de Ciencias, Módulo 07, Universidad Autónoma de Madrid, Ctra. de Colmenar Viejo, Km 15, Madrid, 28049, Spain
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/4440/