Detail publikace

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

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

Originální název

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

Typ

článek v časopise ve Web of Science, Jimp

Jazyk

angličtina

Originální abstrakt

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.

Klíčová slova

dichloride cobalt complex; chalcone; halogen bonding; Hirshfeld surfaces

Autoři

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

Vydáno

1. 5. 2020

Nakladatel

MDPI

Místo

BASEL

ISSN

2073-4352

Periodikum

Crystals

Ročník

10

Číslo

5

Stát

Švýcarská konfederace

Strany od

1

Strany do

14

Strany počet

14

URL

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

Plný text v Digitální knihovně

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"
}