Crystal Structures and Photoluminescence of Two New Tetrazole-based Complexes

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The solution reactions of the metal salts with 2,2′-bipyridine (2,2′-bipy) and ethyl tetrazole-5-carboxylate (Hetzc) afforded two new tetrazole-based complexes M(2,2′-bipy)2(etzc)2 (M = Mn 1, Zn 2), and their crystal structures were determined by single-crystal X-ray diffraction analyses. Crystallographic data for 1: C28H26MnN12O4, Mr = 649.55, monoclinic, space group C2/c, a = 19.326(15), b = 11.051(6), c = 16.388(13), β = 117.38(4)°, V = 3108(4)3, Z = 4, Dc = 1.388 g/cm3, F(000) = 1340, R = 0.0557 and wR = 0.1269; and those for 2: C28H26ZnN12O4, Mr = 659.98, monoclinic, space group C2/c, a = 19.173(4), b = 11.006(2), c = 16.266(4), β = 118.11(3)°, V = 3027.4(11)3, Z = 4, Dc = 1.448 g/cm3, F(000) = 1360, R = 0.0428 and wR = 0.1000. The structures of 1 and 2 are isomorphic and consist of isolated neutral mononuclear units. The metal atoms have highly distorted octahedral coordination environments with two N atoms from two etzc ligands and four N atoms from two 2,2′-bipy molecules. The isolated mononuclear units are connected by π-π stacking interactions to generate one-dimensional chains. The thermal stability and photoluminescence have also been discussed. The solution reactions of the metal salts with 2,2’-bipyridine (2,2’-bipy) and ethyl tetrazole-5-carboxylate (Hetzc) afforded two new tetrazole-based complexes M Crystallographic data for 1: C28H26MnN12O4, Mr = 649.55, monoclinic, space group C2 / c, a = Β = 117.38 (4) °, V = 3108 (4) 3, Z = 4, Dc = 1.388 g / cm3, F And those for 2: C28H26ZnN12O4, Mr = 659.98, monoclinic, space group C2 / c, a = 19.173 (4), b = 11.006 (2), c = 16.266 4) , β = 118.11 (3) °, V = 3027.4 (11) 3, Z = 4, Dc = 1.448 g / cm3, F (000) = 1360, R = 0.0428 and wR = 0.1000. The structures of 1 and 2 are isomorphic and consist of isolated neutral mononuclear units. The metal atoms have highly distorted octahedral coordination environments with two N atoms from two etzc ligands and four N atoms from two 2,2 ’-bipy molecules. The isolated mononuclear units are connected by π-π stacking interactions to generate one-dimensional chains. The thermal stability and photoluminescence have also been discussed.
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