Publication result detail

Weak antiferromagnetic interaction in Cu(II) complex with semi-coordination exchange pathway

HAVLÍČEK, L.; HERCHEL, R.; NEMEC, I.; NEUGEBAUER, P.

Original Title

Weak antiferromagnetic interaction in Cu(II) complex with semi-coordination exchange pathway

English Title

Weak antiferromagnetic interaction in Cu(II) complex with semi-coordination exchange pathway

Type

WoS Article

Original Abstract

We present structural and magnetic studies of complex [Cu(dpt)(NCS)2], 1a, dpt = bis(3-aminopropyl)amine. A weak antiferromagnetic interaction mediated by a CuMIDLINE HORIZONTAL ELLIPSIS 7C non-covalent interaction was identified by magnetometry measurements, and the exchange magnitude (J = -2.24 cm-1, J stands for isotropic magnetic exchange constant) was determined. These results were supported by theoretical calculations (DFT) and the nature of the CuMIDLINE HORIZONTAL ELLIPSIS 7C interaction was studied by QT-AIM. It was confirmed that the CuMIDLINE HORIZONTAL ELLIPSIS 7C non-covalent interaction could be described as semi-coordination. The obtained results were compared to those previously reported for the isomorphous complex [Co(dpt)(NCS)2].

English abstract

We present structural and magnetic studies of complex [Cu(dpt)(NCS)2], 1a, dpt = bis(3-aminopropyl)amine. A weak antiferromagnetic interaction mediated by a CuMIDLINE HORIZONTAL ELLIPSIS 7C non-covalent interaction was identified by magnetometry measurements, and the exchange magnitude (J = -2.24 cm-1, J stands for isotropic magnetic exchange constant) was determined. These results were supported by theoretical calculations (DFT) and the nature of the CuMIDLINE HORIZONTAL ELLIPSIS 7C interaction was studied by QT-AIM. It was confirmed that the CuMIDLINE HORIZONTAL ELLIPSIS 7C non-covalent interaction could be described as semi-coordination. The obtained results were compared to those previously reported for the isomorphous complex [Co(dpt)(NCS)2].

Keywords

Magnetic exchange interaction; Non-covalent interaction; Semi-coordination

Key words in English

Magnetic exchange interaction; Non-covalent interaction; Semi-coordination

Authors

HAVLÍČEK, L.; HERCHEL, R.; NEMEC, I.; NEUGEBAUER, P.

RIV year

2023

Released

01.09.2022

Publisher

PERGAMON-ELSEVIER SCIENCE LTD

Location

OXFORD

ISBN

1873-3719

Periodical

POLYHEDRON

Volume

223

Number

115962

State

United Kingdom of Great Britain and Northern Ireland

Pages count

9

URL

https://www.sciencedirect.com/science/article/pii/S027753872200314X?via%3Dihub

BibTex

@article{BUT182291,
  author="Lubomír {Havlíček} and Radovan {Herchel} and Ivan {Nemec} and Petr {Neugebauer}",
  title="Weak antiferromagnetic interaction in Cu(II) complex with semi-coordination exchange pathway",
  journal="POLYHEDRON",
  year="2022",
  volume="223",
  number="115962",
  pages="9",
  doi="10.1016/j.poly.2022.115962",
  issn="0277-5387",
  url="https://www.sciencedirect.com/science/article/pii/S027753872200314X?via%3Dihub"
}