School of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, PR China.
School of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2014 Mar 25;122:246-51. doi: 10.1016/j.saa.2013.11.090. Epub 2013 Nov 20.
A new complex ([Cu(L1)2(H2O]2]⋅2H2O, 1) derived from a hetero N- and O-donor ligand 5-methyl-imidazole-3-carboxylic acid (L1H) has been synthesized and characterized. Comparisons between [Cu(L1)2(H2O]2]⋅2H2O, [Co(L2)(H2O]2⋅H2O (2), and [Cu(L2)2H2O]⋅H2O (L2H=5-methyl-isoxazole-3-carboxylic acid) revealed that the coordinated water molecules play a key role in the construction of crystal structures: two coordinated water molecules in the axial positions lead to single-deck 1D chain and 3D motif while one coordinated water molecule resulted to double-deck 1D chain and 2D stacking motif. Molecular Hirshfeld surfaces revealed that complexes 1 and 2 were supported mainly by H-H, C-H⋯π, and O-H⋯O intermolecular interactions. The room temperature solid state luminescent properties of complexes 1 and 2 were all shown as two distinct bands, which attribute to ligand-metal charge transfer and metal purterbed ligand centered emission.
一种新的配合物([Cu(L1)2(H2O)]2]⋅2H2O, 1)，由杂原子 N 和 O 供体配体 5-甲基-咪唑-3-羧酸 (L1H) 合成并进行了表征。对[Cu(L1)2(H2O)]2]⋅2H2O、[Co(L2)(H2O)]2⋅H2O (2) 和 [Cu(L2)2H2O]⋅H2O (L2H=5-甲基异恶唑-3-羧酸) 进行比较，发现配位水分子在晶体结构的构建中起着关键作用：轴向位置的两个配位水分子导致一维单层链和三维拓扑，而一个配位水分子导致二维双层链和二维堆积拓扑。分子 Hirshfeld 表面揭示了配合物 1 和 2 主要由 H-H、C-H⋯π 和 O-H⋯O 分子间相互作用支撑。配合物 1 和 2 的室温固态发光性质均表现为两个明显的带，归因于配体-金属电荷转移和金属掺杂配体中心发射。
