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Study of the complex formation between the [Cu(bpca)]+ secondary building unit and the aromatic N donors 2,3,5,6-tetra(2-pyridyl)pyrazine (tppz) and 1,3-bis(4-pyridyl)propane (bpp)
CrystEngComm ( IF 3.1 ) Pub Date : 2017-09-01 00:00:00 , DOI: 10.1039/c7ce01230f
Eloisa O. Ribeiro 1, 2, 3, 4 , Nathália R. de Campos 1, 2, 3, 4 , Antônio C. Doriguetto 1, 2, 3, 4 , Wdeson P. Barros 1, 4, 5, 6, 7 , Marcos A. Ribeiro 4, 8, 9, 10 , Elgte E. B. De Paula 4, 11, 12, 13 , Humberto O. Stumpf 4, 14, 15, 16 , Francesc Lloret 17, 18, 19, 20 , Miguel Julve 17, 18, 19, 20 , Maria V. Marinho 1, 2, 3, 4
Affiliation  

Two new complexes of the formula [{Cu(bpca)}2(μ-tppz)](NO3)2·5H2O (1) and [Cu(bpca)(H2O)(ClO4)(μ-bpp)Cu(bpca)(H2O)2]ClO4·H2O (2) [tppz = 2,3,5,6-tetra(2-pyridyl)pyrazine and bpp = 1,3-bis(4-pyridyl)propane] have been prepared by the reaction of the [Cu(bpca)]+ [Hbpca = bis(2-pyridylcarbonyl)imide] building block and the tppz and bpp N donors. An unusual coordination mode of the tppz ligand was observed in 1, which functions as a bis(bidentate) ligand to two copper(II) atoms each coordinated to a nitrogen atom of the pyrazine moiety and a pyridyl nitrogen atom. This compound presents a layered structure of alternating anionic (ca. 1.6 Å) and cationic (ca. 10 Å) slices, providing the opportunity to obtain isomorphic structures by exchanging the counterion, the solvent or both of them. As in 1, each bpca group in 2 is the end-cap ligand being coordinated to the copper(II) ion through its three nitrogen atoms in equatorial positions. The supramolecular layers in 2 are filled by the disordered water molecules and one of the perchlorate groups where the volume occupied by the disordered water can be considered as a void of 91.9 Å3. Additionally, the very weak antiferromagnetic couplings observed in 1 [J = −0.16] and 2 [J = −0.41 cm−1] can be understood by simple orbital symmetry considerations about the type and orientation of the magnetic orbital at each copper(II) ion in both compounds which provide a clear picture of the poor ability of the involved bridges in mediating electronic effects between the paramagnetic centers.

中文翻译:

研究[Cu(bpca)] +二级结构单元与芳族N供体2,3,5,6-四(2-吡啶基)吡嗪(tppz)和1,3-双(4-吡啶基)之间的络合物形成丙烷(bpp)

分子式为[{Cu(bpca)} 2(μ-tppz)](NO 32 ·5H 2 O(1)和[Cu(bpca)(H 2 O)(ClO 4)(μ- bpp)Cu(bpca)(H 2 O)2 ] ClO 4 ·H 2 O(2)[tppz = 2,3,5,6-四(2-吡啶基)吡嗪和bpp = 1,3-bis(4 -[吡啶基)丙烷]是通过[Cu(bpca)] + [Hbpca =双(2-吡啶基羰基)酰亚胺]结构单元与tppz和bpp N供体的反应制备的。在1中观察到了tppz配体的不寻常配位模式,它充当两个铜的双(双齿)配体。II)原子分别与吡嗪部分的氮原子和吡啶基氮原子配位。该化合物呈现出交替分布的阴离子(1.6Å)和阳离子(10Å)片的层状结构,从而提供了通过交换抗衡离子,溶剂或两者来获得同构结构的机会。与1中一样2中的每个bpca基团都是端帽配体,通过其位于赤道位置的三个氮原子与铜(II)离子配位。2中的超分子层被无序的水分子和高氯酸盐基团之一填充,其中无序的水占据的体积可以视为91.9Å的空隙3。此外,非常弱的反铁磁耦合中观察到1 [ Ĵ = -0.16]和2 [ Ĵ = -0.41厘米-1〕可通过关于磁轨道在每个铜的类型和取向简单轨道对称性考虑理解( II)两种化合物中的离子,清楚地说明了所涉及的桥介导顺磁性中心之间电子效应的能力较弱。
更新日期:2017-09-18
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