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

Result code in 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>

Result on the web

<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>

Result language

angličtina

Original language name

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

Original language description

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.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10402 - Inorganic and nuclear chemistry

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2025

Confidentiality

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

Name of the periodical

Journal of coordination chemistry

ISSN

0095-8972

e-ISSN

1029-0389

Volume of the periodical

78

Issue of the periodical within the volume

13

Country of publishing house

GB - UNITED KINGDOM

Number of pages

16

Pages from-to

1515-1530

UT code for WoS article

001509649500001

EID of the result in the Scopus database

2-s2.0-105008751101