Tang Jinkui, Costa José Sánchez, Golobic Amalija, Kozlevcar Bojan, Robertazzi Arturo, Vargiu Attilio V, Gamez Patrick, Reedijk Jan
Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
Inorg Chem. 2009 Jun 15;48(12):5473-9. doi: 10.1021/ic900507w.
A new hydrogen-bonded dinuclear copper(II) coordination compound has been synthesized from the Schiff-base ligand 6-(pyridine-2-ylhydrazonomethyl)phenol (Hphp). The molecular structure of Cu(2)(php)(2)(H(2)O)(2)(ClO(4))(H(2)O) (1), determined by single-crystal X-ray diffraction, reveals the presence of two copper(II) centers held together by means of two strong hydrogen bonds, with O...O contacts of only 2.60-2.68 A. Temperature-dependent magnetic susceptibility measurements down to 3 K show that the two metal ions are antiferromagnetically coupled (J = -19.8(2) cm(-1)). This exchange is most likely through two hydrogen-bonding pathways, where a coordinated water on the first Cu, donates a H bond to the O atoms of the coordinated php at the other Cu. This strong O...H(water) bonding interaction has been clearly evidenced by theoretical calculations. In the relatively few related cases from the literature, this exchange path, mediated by a (neutral) coordinated water molecule, was not recognized.
一种新的氢键双核铜（II）配位化合物由席夫碱配体6 - （吡啶 - 2 - 基肼基甲基）苯酚（Hphp）合成。通过单晶X射线衍射确定的Cu(2)(php)(2)(H(2)O)(2)(ClO(4))(H(2)O) (1)的分子结构表明，存在两个通过两个强氢键结合在一起的铜（II）中心，O...O接触距离仅为2.60 - 2.68 Å。低至3 K的变温磁化率测量表明，两个金属离子呈反铁磁耦合（J = -19.8(2) cm(-1)）。这种交换很可能通过两条氢键路径进行，其中第一个铜上配位的一个水分子向另一个铜上配位的php的O原子提供一个H键。理论计算清楚地证明了这种强O...H(水)键相互作用。在文献中相对较少的相关案例中，这种由（中性）配位水分子介导的交换路径未被识别。
