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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F22%3A73615196" target="_blank" >RIV/61989592:15310/22:73615196 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S027753872200314X" target="_blank" >https://www.sciencedirect.com/science/article/pii/S027753872200314X</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.poly.2022.115962" target="_blank" >10.1016/j.poly.2022.115962</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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].

Název v anglickém jazyce

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

Popis výsledku anglicky

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].

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

POLYHEDRON

ISSN

0277-5387

e-ISSN

1873-3719

Svazek periodika

223

Číslo periodika v rámci svazku

SEP

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

9

Strana od-do

"115962-1"-"115962-9"

Kód UT WoS článku

000815786500009

EID výsledku v databázi Scopus

2-s2.0-85132729151