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Synthesis,Structure and Photoluminescence of Cocrystal of Bis[2-(benz(oxa/imida)zol-2-yl)phenolato-к~2N,O]zinc(Ⅱ) Being Site Occupancy Disorder with a Heteroatom Ratio of NH to O(0.408/0.592)

Synthesis,Structure and Photoluminescence of Cocrystal of Bis[2-(benz(oxa/imida)zol-2-yl)phenolato-к~2N,O]zinc(Ⅱ) Being Site Occupancy Disorder with a Heteroatom Ratio of NH to O(0.408/0.592)
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摘要 The zinc(Ⅱ) complex with Hpbx (Hpbx = 2-(benzoxazol-2-yl)phenol) and Hpbm (Hpbm = 2-(benzimidazol-2-yl)phenol), namely [Zn(pbm)2]1.633[Zn(pbx)212.367·DMF·2H2O 1, has been synthesized and characterized by X-ray crystallography, FTIR and elemental analysis. The coordination structures are statistically disordered and can be regarded as a co-crystal of [Zn(pbm)2] and [Zn(pbx)2] with the ratio of ca. 0.408/0.592. Solvate water and DMF molecules are also present in the lattice. Crystal data for 1; monoclinic, space group P21/c, Mr= 2049.02, Z = 2, α = 9.7571(6), b = 25.6415(16), c = 19.8675(10) A, β= 111.342(2)°, V = 4629.7(5) A^3, Dc = 1.470 g/cm^3,μ = 1.100 mm^-1, F(000) = 2104, R = 0.0575 and wR = 0.1282 for 5528 observed reflections (I〉2σ(I)). The photoluminescent spectra for this compound have also been studied. The zinc(Ⅱ) complex with Hpbx (Hpbx = 2-(benzoxazol-2-yl)phenol) and Hpbm (Hpbm = 2-(benzimidazol-2-yl)phenol), namely [Zn(pbm)2]1.633[Zn(pbx)212.367·DMF·2H2O 1, has been synthesized and characterized by X-ray crystallography, FTIR and elemental analysis. The coordination structures are statistically disordered and can be regarded as a co-crystal of [Zn(pbm)2] and [Zn(pbx)2] with the ratio of ca. 0.408/0.592. Solvate water and DMF molecules are also present in the lattice. Crystal data for 1; monoclinic, space group P21/c, Mr= 2049.02, Z = 2, α = 9.7571(6), b = 25.6415(16), c = 19.8675(10) A, β= 111.342(2)°, V = 4629.7(5) A^3, Dc = 1.470 g/cm^3,μ = 1.100 mm^-1, F(000) = 2104, R = 0.0575 and wR = 0.1282 for 5528 observed reflections (I〉2σ(I)). The photoluminescent spectra for this compound have also been studied.
作者 童义平
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2007年第1期108-112,共5页 结构化学(英文)
基金 This work was supported by the Natural Science Foundation of Guangdong Province (No. 06301028)
关键词 zinc complex co-crystal structure 2-(benzoxazol-2-yl)phenol 2-(benzimidazol-2-yl)phenol zinc complex, co-crystal structure, 2-(benzoxazol-2-yl)phenol, 2-(benzimidazol-2-yl)phenol
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