Moon Dohyun, Choi Jong Ha
Pohang Accelerator Laboratory, POSTECH, Pohang 790-784, Republic of Korea.
Department of Chemistry, Andong National University, Andong 760-749, Republic of Korea.
Acta Crystallogr C Struct Chem. 2015 May;71(Pt 5):351-6. doi: 10.1107/S2053229615006026. Epub 2015 Apr 3.
The title complex salt, trans-anti-[CrBr2(Me2tn)2]ClO4 (where Me2tn = 2,2-dimethylpropane-1,3-diamine, C5H14N2), was prepared and its structure determined by single-crystal X-ray diffraction at 100 K. The asymmetric unit contains three conformationally similar complex cations and three perchlorate anions. In each complex cation, the Cr(III) centre is coordinated by four N atoms of two chelating Me2tn ligands in the equatorial plane and by two Br atoms in a trans-axial arrangement, to give a distorted octahedral geometry. Interionic contacts are dominated by extensive hydrogen bonding, involving the NH groups of the Me2tn ligand as donors and the anion O atoms or coordinated Br atoms as acceptors, resulting in two-dimensional layers in the bc plane. Ligand field analysis based on the angular overlap model, and IR and electronic spectroscopic properties, are also discussed.
标题配合物盐反式 - 反式 - [CrBr₂(Me₂tn)₂]ClO₄(其中Me₂tn = 2,2 - 二甲基丙烷 - 1,3 - 二胺,C₅H₁₄N₂)已被制备,并通过在100 K下的单晶X射线衍射确定了其结构。不对称单元包含三个构象相似的配合物阳离子和三个高氯酸根阴离子。在每个配合物阳离子中,Cr(III)中心在赤道平面上由两个螯合的Me₂tn配体的四个N原子配位,并由两个处于反式轴向排列的Br原子配位,形成扭曲的八面体几何构型。离子间的相互作用主要由广泛的氢键主导,其中Me₂tn配体的NH基团作为供体,阴离子O原子或配位的Br原子作为受体,在bc平面上形成二维层。还讨论了基于角重叠模型的配体场分析以及红外和电子光谱性质。