Syntheses, Structural, Theoretical, and Nonlinear Optical Studies of Non-Interpenetrating Three-Dimensional Nest-Shaped-Cluster [MoOS3Cu3]-Based Coordination Polymers

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• 作者：Jinfang Zhang ; Suci Meng ; Yinglin Song ; Yimeng Zhou ; Yuan Cao ; Jianghua Li ; Huajian Zhao ; Jingchun Hu ; Jinhua Wu ; Mark G. Humphrey ; Chi Zhang
• 刊名：Crystal Growth & Design
• 出版年：2011
• 出版时间：January 5, 2011
• 年：2011
• 卷：11
• 期：1
• 页码：100-109
• 全文大小：1236K
• 年卷期：v.11,no.1(January 5, 2011)
• ISSN：1528-7505

文摘

An efficient route to construct three-dimensional (3-D) M/S/Cu nest-cluster-based coordination polymers has been developed. By this method, cyanide bridges have been successfully introduced to build three new non-interpenetrating 3-D nest-shaped-cluster [MoOS₃Cu₃]-based coordination polymers, ³_{鈭?/sub>{[(NO3)(Me4N)3][MoOS3Cu3(CN)3]} (1) and ³鈭?/sub>{[(NH4)路2DMF][Mo2O2S6Cu6(CN)3(L)4]} (L1 = bipy = 4,4鈥?bipyridine, 2; L2 = bpee = 1,2-bis(4-pyridyl)ethene, 3). The structures of 1鈭?b>3 have been established by elemental analysis, IR, UV鈭抳is, and single-crystal X-ray crystallographic studies. 1 is the first non-interpenetrating 3-D 6-connected M/S/Cu coordination polymer and possesses an unprecedented dual-inclusive structure, rare 鈥淎CS鈥?topology and huge free volume. 2 and 3 possess unusual non-interpenetrating 3-D pillar-layer-alternating honeycomb-like frameworks with diamondoid topologies. Nonlinear optical (NLO) properties of these clusters were investigated by Z-scan employing 5 ns pulses at 532 nm, with 1鈭?b>3 showing strong third-order NLO properties. Time-dependent density functional theory (TD-DFT) studies have afforded insight into the electronic transitions and spectral characterization of these functionalized NLO molecular materials.}