基于Blender的矿山井巷模型自动生成研究

以开源三维软件Blender和矿山基础信息库为资源,利用Python编程语言提出矿山井巷几何模型的计算方法,并通过Blender自带Python API调用Blender建模引擎,从而实现对矿山井巷三维模型的自动生成.运行结果表明所设计的模型简单易行,完全开源后无需软件费用.     

含吡嗪甲酸配体的双核铬配合物的水热合成、晶体结构及荧光性质

通过水热法合成了1个双核铬配合物[Cr2(OH)2(2-pca)4].3H2O(2-Hpca=2-吡嗪甲酸),并对其进行了X-射线单晶衍射、红外光谱、元素分析、荧光和热的表征及研究。该配合物属于单斜晶系,P21/c空间群。晶体学数据:a=1.566 35(15),b=0.847 70(6),c=1.974 60(18)nm,β=90.645 0(10)°,C20H20Cr2N8O13,Mr=684.44,V=2.621 7(4)nm3,Dc=1.734 g.cm-3,F(000)=1 392,μ=0.913 cm-1,Z=4,最终R=0.044 7,wR=0.112 0用于3 251个可观测点。在晶体结构中,每个铬原子均为六配位,其中来自两分子2-吡嗪甲酸的2个氮原子、2个羧酸基氧原子和2个桥连羟基上的氧原子,呈现畸变的八面体几何构型。     

Synthesis and Crystal Structure of a New [Mn_2Ni_2] Cubane Complex

A new Mn2Ni2 cubane complex has been synthesized and characterized by single-crystal X-ray diffraction,FT IR spectra and elemental analysis.The title compound [MnIII2NiII2(hmp)4(N3)4(O2CR)2](hmp-is the anion of 2-pyridinemethanol and O2CR-is α-na-phthaleneacetate)crystallizes in the monoclinic system,space group P21/c with a = 10.519(5),b = 22.109(10),c = 23.235(9),β = 106.096(17)o,C48H42Mn2N16Ni2O8,Mr = 1198.28,V = 5192(4)3,Dc = 1.533 g/cm3,F(000)= 2448,μ = 1.258 cm1,Z = 4,the final R = 0.0875 and wR = 0.2020 for 3398 reflections with I > 2σ(I).X-ray diffraction analysis reveals that each Mn(III)center is octahedrally coordinated by two nitrogen atoms of azide anions and three oxygen atoms from three 2-pyridinemethanol anion ligands together with one oxygen atom from naphthaleneacetate.Each Ni(II)is octahedrally coordinated by two nitrogen atoms of 2-pyridinemethanol anion ligands as well as three oxygen atoms from three 2-pyridinemethanol anion ligands and one oxygen atom from naphthaleneacetate.