Hexacoordinated Co(ii) complex exhibiting strong magnetic anisotropy and field-induced slow magnetization relaxation: synthesis, magnetic characterization, and quantum-chemical modelling

被引：1

作者：

Tupolova, Yulia P. P. ^{[1
]}

Lebedev, Vladimir E. E. ^{[1
]}

Korchagin, Denis V. V. ^{[2
]}

Tkachev, Valery V. V. ^{[2
]}

Utenyshev, Andrey N. N. ^{[2
]}

Morgunov, Roman B. B. ^{[2
]}

Palii, Andrei V. V. ^{[2
]}

Shcherbakov, Igor N. N. ^{[1
]}

Aldoshin, Sergey M. M. ^{[2
]}

机构：

[1] Southern Fed Univ, Dept Chem, 7 Zorge Str, Rostov Na Donu 344090, Russia

[2] RAS, Fed Res Ctr Problems Chem Phys & Med Chem, Chernogolovka 142432, Moscow Region, Russia

来源：

NEW JOURNAL OF CHEMISTRY | 2023年 / 47卷 / 22期

关键词：

STATE PERTURBATION-THEORY; VALENCE; IMPLEMENTATION; FORMULATION; DESIGN;

D O I：

10.1039/d3nj01481a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A hexacoordinated Co(ii) complex of [CoL(NCS)(2)]center dot 2DMSO (1) composition, where L is tetradentate bis-quinolyl hydrazone 2,2 '-(2,2 '-(butane-2,3-diylidene)bis(hydrazin-1-yl-2-ylidene))diquinoline, has been synthesised and characterized by IR, SCXRD, and AC and DC magnetic measurements. Due to helix-like distortion of the complex, the Co(ii) coordination polyhedron is distorted towards trigonal prismatic symmetry. Complex 1 demonstrates slow relaxation of magnetization in an applied DC magnetic field of 1000 Oe, which is well described by the Raman mechanism. The performed CASSCF+NEVPT2 calculations provide clear insight into the origin of the magnetic anisotropy in 1.

引用

页码：10884 / 10891

页数：8

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