Two novel 1D chain bis(benzimidazole) Co(II) complexes, their crystal structures and magnetic properties

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F22%3A73615217" target="_blank" >RIV/61989592:15310/22:73615217 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11310/22:10451400

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S027753872200506X" target="_blank" >https://www.sciencedirect.com/science/article/pii/S027753872200506X</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.poly.2022.116154" target="_blank" >10.1016/j.poly.2022.116154</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Two novel 1D chain bis(benzimidazole) Co(II) complexes, their crystal structures and magnetic properties

Popis výsledku v původním jazyce

Two cobalt(II) complexes with 2-[2-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]-1H-benzimidazole (tebb) of compositions [Co(tebb)Cl2]n center dot nCH3OH (1) and [Co(tebb)Br2]n center dot 3/2nCH3OH (2) have been prepared. Their poly-meric structures were determined by X-ray crystallography. In both cases, the central cobalt(II) atoms are in tetrahedral vicinity. There are two halogen anions and two nitrogen atoms of neighboring benzimidazole rings coordinated to cobalt. Methanol molecules are outside the coordination sphere and connected by hydrogen bonds to polymeric molecules. Magnetic properties of the complexes have been studied in the temperature range of 2-300 K. The moderate values of the zero-field splitting parameters were determined, D =-7.2(2) cm-1 for 1 and D =-3.7(1) cm-1 for 2. The theoretical calculations based on CASSCF/NEVPT2 method supported these findings.

Název v anglickém jazyce

Two novel 1D chain bis(benzimidazole) Co(II) complexes, their crystal structures and magnetic properties

Popis výsledku anglicky

Two cobalt(II) complexes with 2-[2-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]-1H-benzimidazole (tebb) of compositions [Co(tebb)Cl2]n center dot nCH3OH (1) and [Co(tebb)Br2]n center dot 3/2nCH3OH (2) have been prepared. Their poly-meric structures were determined by X-ray crystallography. In both cases, the central cobalt(II) atoms are in tetrahedral vicinity. There are two halogen anions and two nitrogen atoms of neighboring benzimidazole rings coordinated to cobalt. Methanol molecules are outside the coordination sphere and connected by hydrogen bonds to polymeric molecules. Magnetic properties of the complexes have been studied in the temperature range of 2-300 K. The moderate values of the zero-field splitting parameters were determined, D =-7.2(2) cm-1 for 1 and D =-3.7(1) cm-1 for 2. The theoretical calculations based on CASSCF/NEVPT2 method supported these findings.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

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

228

Číslo periodika v rámci svazku

DEC

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

7

Strana od-do

"116154-1"-"116154-7"

Kód UT WoS článku

000876863500005

EID výsledku v databázi Scopus

2-s2.0-85140761383