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Article

Halogen Bonding in New Dichloride-Cobalt(II) Complex with Iodo Substituted Chalcone Ligands

1
Department of Inorganic Chemistry, Faculty of Science, Palacký University, 17. listopadu 12, 771 46 Olomouc, Czech Republic
2
Department of Inorganic Chemistry, Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava, SK-81237 Bratislava, Slovakia
3
Central European Institute of Technology, Brno University of Technology, Purkyňova 123, 61200 Brno, Czech Republic
*
Authors to whom correspondence should be addressed.
Crystals 2020, 10(5), 354; https://doi.org/10.3390/cryst10050354
Received: 7 April 2020 / Revised: 22 April 2020 / Accepted: 28 April 2020 / Published: 30 April 2020
The synthesis and properties of new chalcone ligand 4I-L ((2E)-1-[4-(1H-imidazol-1-yl)phenyl]-3-(4-iodophenyl)prop-2-en-1-one) and tetracoordinate Co(II) complex [Co(4I-L)2Cl2], (1a), are reported in this article. Upon recrystallization of 1a, the single crystals of [Co(4I-L)4Cl2]·2DMF·3Et2O (1b) were obtained and crystal structure was determined using X-ray diffraction. The non-covalent interactions in 1b were thoroughly analyzed and special attention was dedicated to interactions formed by the peripheral iodine substituents. The density functional theory (DFT), atoms in molecule (AIM) and noncovalent interaction (NCI) methods and electronic localization function (ELF) calculations were used to investigate halogen bond formed between the iodine functional groups and co-crystallized molecules of diethyl ether. View Full-Text
Keywords: dichloride cobalt complex; chalcone; halogen bonding; Hirshfeld surfaces dichloride cobalt complex; chalcone; halogen bonding; Hirshfeld surfaces
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MDPI and ACS Style

Masaryk, L.; Moncol, J.; Herchel, R.; Nemec, I. Halogen Bonding in New Dichloride-Cobalt(II) Complex with Iodo Substituted Chalcone Ligands. Crystals 2020, 10, 354. https://doi.org/10.3390/cryst10050354

AMA Style

Masaryk L, Moncol J, Herchel R, Nemec I. Halogen Bonding in New Dichloride-Cobalt(II) Complex with Iodo Substituted Chalcone Ligands. Crystals. 2020; 10(5):354. https://doi.org/10.3390/cryst10050354

Chicago/Turabian Style

Masaryk, Lukáš, Ján Moncol, Radovan Herchel, and Ivan Nemec. 2020. "Halogen Bonding in New Dichloride-Cobalt(II) Complex with Iodo Substituted Chalcone Ligands" Crystals 10, no. 5: 354. https://doi.org/10.3390/cryst10050354

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