Publication detail

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

MASARYK, L. MONCOL, J. HERCHEL, R. NEMEC, I.

Original Title

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

Type

journal article in Web of Science

Language

English

Original Abstract

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)(2)Cl-2], (1a), are reported in this article. Upon recrystallization of 1a, the single crystals of [Co(4I-L)(4)Cl-2]center dot 2DMF center dot 3Et(2)O (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.

Keywords

dichloride cobalt complex; chalcone; halogen bonding; Hirshfeld surfaces

Authors

MASARYK, L.; MONCOL, J.; HERCHEL, R.; NEMEC, I.

Released

1. 5. 2020

Publisher

MDPI

Location

BASEL

ISBN

2073-4352

Periodical

Crystals

Year of study

10

Number

5

State

Swiss Confederation

Pages from

1

Pages to

14

Pages count

14

URL

https://www.mdpi.com/2073-4352/10/5/354

Full text in the Digital Library

http://hdl.handle.net/11012/195724

BibTex

@article{BUT165533,
  author="Lukáš {Masaryk} and Ján {Moncol} and Radovan {Herchel} and Ivan {Nemec}",
  title="Halogen Bonding in New Dichloride-Cobalt(II) Complex with Iodo Substituted Chalcone Ligands",
  journal="Crystals",
  year="2020",
  volume="10",
  number="5",
  pages="1--14",
  doi="10.3390/cryst10050354",
  issn="2073-4352",
  url="https://www.mdpi.com/2073-4352/10/5/354"
}