Synthesis, characterization, magnetic and theoretical studies on Fe(II) spin-crossover complex based on 4-cyclohexyl-1,2,4-triazole

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26620%2F26%3A0198249" target="_blank" >RIV/00216305:26620/26:0198249 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.tandfonline.com/doi/full/10.1080/00958972.2025.2517658" target="_blank" >https://www.tandfonline.com/doi/full/10.1080/00958972.2025.2517658</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1080/00958972.2025.2517658" target="_blank" >10.1080/00958972.2025.2517658</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Synthesis, characterization, magnetic and theoretical studies on Fe(II) spin-crossover complex based on 4-cyclohexyl-1,2,4-triazole

Popis výsledku v původním jazyce

4-cyclohexyl-1,2,4-triazole (4-C6trz) was synthesized and used as a ligand to prepare Fe(II) complex of the formula [FeII(4-C6trz)3](BF4)24H2O. The complex was characterized spectroscopically, magnetically, and thermally. The characterization of the complex proved the polymeric nature of the complex and the triazole ligand acted as a bridging ligand. The prepared structure has the formula confirmed to be [FeII(4-C6trz)3](BF4)24H2O. The chi T product of [FeII(4-C6trz)3](BF4)24H2O was almost constant over 200 - 400 K, and the measured value (3.6 cm3mol-1K) is expected to be the paramagnetic high-spin Fe(II) complexes (S = 2). Density Functional Theory (DFT) calculations were conducted on [FeII(4-C6trz)3](BF4)24H2O to rationalize the experimentally observed magnetic behavior measured using the magnetometer. The results predict that the 4-cyclohexyl-1,2,4-triazole (4-C6trz) ligand provides a pi-acceptor environment in the first coordination, which helps to show spin crossover transition with a transition temperature of 215 K.

Název v anglickém jazyce

Synthesis, characterization, magnetic and theoretical studies on Fe(II) spin-crossover complex based on 4-cyclohexyl-1,2,4-triazole

Popis výsledku anglicky

4-cyclohexyl-1,2,4-triazole (4-C6trz) was synthesized and used as a ligand to prepare Fe(II) complex of the formula [FeII(4-C6trz)3](BF4)24H2O. The complex was characterized spectroscopically, magnetically, and thermally. The characterization of the complex proved the polymeric nature of the complex and the triazole ligand acted as a bridging ligand. The prepared structure has the formula confirmed to be [FeII(4-C6trz)3](BF4)24H2O. The chi T product of [FeII(4-C6trz)3](BF4)24H2O was almost constant over 200 - 400 K, and the measured value (3.6 cm3mol-1K) is expected to be the paramagnetic high-spin Fe(II) complexes (S = 2). Density Functional Theory (DFT) calculations were conducted on [FeII(4-C6trz)3](BF4)24H2O to rationalize the experimentally observed magnetic behavior measured using the magnetometer. The results predict that the 4-cyclohexyl-1,2,4-triazole (4-C6trz) ligand provides a pi-acceptor environment in the first coordination, which helps to show spin crossover transition with a transition temperature of 215 K.

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

2025

Kód důvěrnosti údajů

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

Název periodika

Journal of coordination chemistry

ISSN

0095-8972

e-ISSN

1029-0389

Svazek periodika

78

Číslo periodika v rámci svazku

13

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

16

Strana od-do

1515-1530

Kód UT WoS článku

001509649500001

EID výsledku v databázi Scopus

2-s2.0-105008751101