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建立了一种碱性条件下过渡金属Co2+和Ni2+共同参与的催化氧化体系,用于高效制备香兰素.该体系能够在0.035 MPa的O2分压下将多种生物质愈创木酚高效快速地转化为香兰素,转化率均约为90%.通过密度泛函理论构筑了反应物的分子模型,并通过对取代基α碳和β碳的电子云密度进行分析,验证了烷基取代基碳的反应能力.同时,考虑到反应过程中存在封闭的CH3OH-O2体系气体环境,进一步对反应条件进行了模拟安全实验,得出该体系90℃发生爆炸的最低氧压力为0.037 MPa,确保了实验的安全进行,也对将来进行工业化生产具有较强的指导意义. 相似文献
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A new bismuth(III) iodide inorganic/organic hybrid containing larger heterocyclic conjugated organic ligand, [(dppz)2Bi2I6]·2DMF(1)(dppz = dipyrido[3,2-a:2',3'-c]phenazine), has been synthesized by solution process and structurally determined by X-ray diffraction method. 1 crystallizes in triclinic, space group P1 with Mr = 1844.08, a = 9.215(5), b = 11.488(6), c = 12.424(9) ?, α = 106.66(2), β = 90.84(2), γ = 92.34(2)°, V = 1258.5(13)?3, Z = 1, Dc = 2.433 g/cm3, F(000) = 830, μ(MoKα) = 10.702 mm–1, the final R = 0.0834 and wR = 0.1947 for 2749 observed reflections with I 2σ(I). 1 consists of a dimeric structure [(dppz)2Bi2I6], in which two [(dppz)BiI3] fragments are bridged by a pair of iodine atoms. Hydrogen bonds and π···π stacking interactions contribute to the structural extension and stabilization. Experimental band gap of about 2.13 eV indicates its semiconductor nature. The optical absorption spectrum and electronic structure were also discussed. 相似文献
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