π-扩展的 1,2,4-苯并三嗪-4-基二聚体内的铁磁相互作用。

IF 3.4 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Crystal Growth & Design Pub Date : 2025-02-06 eCollection Date: 2025-02-19 DOI:10.1021/acs.cgd.4c01508

Christos P Constantinides, Andrey A Berezin, Gerard Estiva Flores, Brayden Early, Georgia A Zissimou, Dragos F Flesariu, Daniel B Lawson, Maria Manoli, Gregory Leitus, Panayiotis A Koutentis

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引用次数: 0

摘要

1,3,7-三苯基-4,8-二氢-1H-咪唑并[4,5-g][1,2,4]苯并三嗪-4-基是一种稳定的自由基，可形成 1 D π 叠层。这些堆栈由平面间距为 3.443 Å（短）和 4.169 Å（长）的二聚体交替组成。磁感应强度（χT）在 18 ± 4 K 时达到峰值，表明二聚体中存在铁磁相互作用，量化值为 2J = 18.1 cm-1。DFT 计算证实了这种磁结构关系。

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Ferromagnetic Interactions within a Dimer of a π-Extended 1,2,4-Benzotriazin-4-yl.

1,3,7-Triphenyl-4,8-dihydro-1H-imidazo[4,5-g][1,2,4]benzotriazin-4-yl, a stable radical, forms 1 D π stacks. These stacks consist of dimers with alternating interplanar distances measuring 3.443 Å (short) and 4.169 Å (long). Magnetic susceptibility (χT) reaches its peak at 18 ± 4 K, signifying the presence of a dimer with ferromagnetic interactions, quantified by 2J = 18.1 cm^-1. The magneto-structural relationship is corroborated by DFT calculations.

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来源期刊

Crystal Growth & Design 化学-材料科学：综合

CiteScore

6.30

自引率

10.50%

发文量

650

审稿时长

1.9 months

期刊介绍： The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials. Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.