title: Topology analysis and nonlinear-optical-active properties of luminescent metal-organic framework materials based on zinc/lead isophthalates.
abstract: Two 3D Zn(II) and Pb(II) isophthalates, [Zn(ip)]n (1) and [Pb4(mu4-O)(ip)3(H2O)]n (2) (H2ip = isophthalic acid), have been prepared under hydro(solvo)thermal conditions and characterized by single-crystal X-ray diffraction. The two complexes crystallize in different space groups (P4(3)2(1)2 for 1 and P2(1)/c for 2) and have different bridging modes of the ip ligand. The 3D framework of 1 is constructed by the interconnection of ZnO4 polyhedra via ip ligands, which represents a chiral net with PtS-type topology. In contrast, complex 2 is formed by the combination of Pb4O-cluster secondary building units and has a novel (3.4.5)(3(2).4(5).5(6).6(7).7(2)) topology, which is the first ever example of a (3,7)-connected net. Complex 1 displays a second harmonic generation efficiency of about 1.5 times that of KH2PO4. Optical properties and thermal stabilities of the two complexes have been studied. Additionally, the calculations of band structure and density of states of 1 have also been performed with the density functional theory method.
authors.affiliation: The State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences, Fuzhou, Fujian 350002, PR China.
authors.forename: Lei
authors.initials: L
authors.lastname: Zhang
authors.forename: Ye-Yan
authors.initials: YY
authors.lastname: Qin
authors.forename: Zhao-Ji
authors.initials: ZJ
authors.lastname: Li
authors.forename: Qi-Pu
authors.initials: QP
authors.lastname: Lin
authors.forename: Jian-Kai
authors.initials: JK
authors.lastname: Cheng
authors.forename: Jian
authors.initials: J
authors.lastname: Zhang
authors.forename: Yuan-Gen
authors.initials: YG
authors.lastname: Yao