Syntheses, Structures, and Luminescence Properties of Two New Open-framework Zinc Phosphites Based on 1,2,4-Triazole Derivatives

With 1,2,4-triazole derivatives as structure directing agents, two new openframework zinc phosphites, [Zn(atrz)(HPO3)]n(1) and [Zn(dmatrz)(HPO3)]n(2)(atrz = 4-amino-1,2,4-triazole, dmatrz = 4-amino-3,5-dimethyl-1,2,4-triazole) have been synthesized and characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, powder and single-crystal X-ray diffractions. Both compounds are isostructure and crystallize in the P21/c space group of monoclinic system. Compound 1: a = 9.629(1), b = 7.384(1), c = 10.274(1) ?, β = 110.729(3)°, V = 683.26(2) ?3, Z = 4, Mr = 229.44, Dc = 2.230 g/cm3, F(000) = 456, S = 1.10, μ = 3.79 mm–1, R = 0.0181 and w R = 0.0466 for 1121 observed reflections((40) > 2s((40))). Compound 2: a = 10.786(2), b = 8.921(1), c = 9.749(1) ?, β = 107.3°, V = 895.6(3) ?3, Z = 4, Mr = 257.49, Dc = 1.910 g/cm3, F(000) = 520, S = 1.00, μ = 2.90 mm–1, R = 0.018 and wR = 0.051 for 1581 observed reflections((40) > 2s((40))). Both compounds are built up into 4.8-net 2D open-frameworks of vertex-linked Zn O4 and HPO3units(3.57 × 4.53 ?2for 1 and 4.43 × 5.90 ?2for 2). The structures consist of left-, right-handed helical chains that are connected through oxygen atoms to form an undulated 2D sheet stack, which can be topologically regarded as 4.82nets. Solid-state luminescence properties and thermo gravimetric analyses of these two compounds were investigated, respectively.