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首页> 外文期刊>Bulletin of the Chemical Society of Japan >Study of Intermolecular Interaction for the Spin-Crossover Iron(II) Compounds
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Study of Intermolecular Interaction for the Spin-Crossover Iron(II) Compounds

机译：自旋交叉铁（II）化合物的分子间相互作用的研究

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摘要

The thermal spin transitions of iron(II) spin-crossover compounds [Fe(PM-iPA)_2(NCS)_2] (1) and [Fe(PM-iPA)_2(NCSe)_2] (2) (PM-iPA = N-(2'-pyridylmethyl)-isopropylamine) have occurred at T_(1/2) = 267 K and 376 K without thermal hystersis. No light-induced excited spin state trapping (LIESST) effect was observed for compounds 1 and 2 even at 5 K. The iron(II) spin-crosover compounds [Fe(PM-L)_2(NCX)_2] (PM-A = N-(2'-pyridylmethyl)-aniline, PM-BiA = N-(2'-pyridylmethyl)-4-aminobiphenyl, PM-TeA = N-(2'-pyridylmethyl)-4-aminoterphenyl, PM-PEA = N-(2'-pyridylmethyl)-4-(phenylethynyl)aniline, and PM-AzA = N-(2'-pyridylmethyl)-4-(phenylazo)aniline; X = S and Se) with ligands having pi-systems ahve exhibited the LIESST effect, and the critical LIESST temperature, T_c(LIESST), has been observed. The compounds 1 and 2 are crystallized at Pnna and C2/c at 298 K, respectively, and the space groups of the compounds remained unchanged until 100 K, although the compounds show the spin transition. The molecular packing structure and thermodynamic parameters of the spin transitions calculated from the magnetic susceptibility curves suggest taht compounds 1 and 2 have no strong intermolecular interactions between the complexes, while the compounds with pi-system ligands form pi-pi intra-and intermolecular interactions between the ligands. Our conclusion is that the intermolecular interactions play an important role in trapping a light-induced metastable state.
机译：铁（II）自旋交联化合物[Fe（PM-iPA）_2（NCS）_2]（1）和[Fe（PM-iPA）_2（NCSe）_2]（2）（PM-iPA）的热自旋转变＝ N-（2′-吡啶基甲基）-异丙胺）在T_（1/2）＝ 267K和376K处发生，没有热滞后。甚至在5 K时也未观察到化合物1和2的光诱导的激发自旋态俘获（LIESST）效应。铁（II）自旋交联化合物[Fe（PM-L）_2（NCX）_2]（PM-A = N-（2'-吡啶基甲基）-苯胺，PM-BiA = N-（2'-吡啶基甲基）-4-氨基联苯，PM-TeA = N-（2'-吡啶基甲基）-4-氨基联苯，PM-PEA = N-（2'-吡啶基甲基）-4-（苯基乙炔基）苯胺，而PM-AzA = N-（2'-吡啶基甲基）-4-（苯基偶氮）苯胺; X = S和Se），其配体具有pi系统表现出LIESST效应，并且观察到临界LIESST温度T_c（LIESST）。化合物1和2分别在298 K的Pnna和C2 / c处结晶，尽管化合物显示出自旋转变，但它们的空间基团保持不变直到100K。根据磁化率曲线计算的自旋跃迁的分子堆积结构和热力学参数表明，化合物1和2在配合物之间没有强烈的分子间相互作用，而具有pi系统配体的化合物在pi之间形成pi-pi分子内和分子间相互作用。配体。我们的结论是，分子间的相互作用在捕获光诱导的亚稳态中起着重要的作用。

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