Spin-crossover behavior of neutral iron(iii) complexes with salicylaldehyde thio-, seleno- and semicarbazone ligands: experiment and theoretical analysis

被引：13

作者：

Spitsyna, Nataliya G. ^{[1
]}

Blagov, Maxim A. ^{[1
,4
]}

Lazarenko, Vladimir A. ^{[2
]}

Zorina, Leokadiya V. ^{[3
]}

Vasiliev, Alexander N. ^{[4
,5
,6
]}

Krapivin, Vladimir B. ^{[1
,2
]}

Svetogorov, Roman D. ^{[2
]}

Maximova, Olga V. ^{[4
,5
]}

Simonov, Sergey V. ^{[3
]}

Yagubskii, Eduard B. ^{[1
]}

机构：

[1] RAS, Inst Problems Chem Phys, Chernogolovka 142432, MD, Russia

[2] Natl Res Ctr, Kurchatov Inst, Moscow 123182, Russia

[3] RAS, Inst Solid State Phys, Chernogolovka 142432, MD, Russia

[4] Lomonosov Moscow State Univ, Moscow 119991, Russia

[5] Natl Univ Sci & Technol MISIS, Moscow 119991, Russia

[6] Natl Res South Ural State Univ, Chelyabinsk 454080, Russia

来源：

DALTON TRANSACTIONS | 2019年 / 48卷 / 25期

基金：

俄罗斯基础研究基金会;

关键词：

FERRIC COMPLEXES; TRANSITION; FE(III); FAMILY; TEMPERATURE; MECHANISM; RESONANCE;

D O I：

10.1039/c9dt01404g

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The iron(iii) complex [Fe(Hsemsal)(semsal)]3H(2)O (1) (H(2)semsal - salicylaldehyde semicarbazone) has been synthesized and characterized by powder and single crystal X-ray diffraction, and magnetic susceptibility measurements. Crystal structure analysis showed that the complex forms neat stacks stabilized by hydrogen-bonding through water molecules and pi-pi interactions between phenolate rings of ligands. The complex does not exhibit spin-crossover phenomena and remains in the high-spin state down to 2 K. DFT calculations were performed for a series of neutral Fe(iii) complexes, and the influence of the N2S2O2, N2Se2O2 and N2O4 coordination environment on the spin transition in these complexes was traced. The effect of substituents in the benzene ring of salicylaldehyde on the stabilization of the HS or LS states in complexes of this type was analyzed.

引用

页码：9328 / 9336

页数：9

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