共查询到10条相似文献,搜索用时 140 毫秒
1.
WANG Tao FAN Yu-guo 《高等学校化学研究》1993,9(2):99-103
A cobalt complex with mixed valence state [Co( Ⅰ ) (dppe)2CO]2 [Co2 ( Ⅱ )(dppe) Cl]6O2] (dppe = 1,2 - bis(diphenylphosphino) ethane) has been prepared. The compound crystallizes in triclinic space group P1 with unit cell parameters: a=1. 1763(3) nm, b = 1. 2943(6) nm, c=2. 1507(9) nm, a=81. 44(4)°? ,β=82. 58(3)°, r = 79. 82(3)°, V = 3. 1691 nm3 and Z=1. The structure was solved by direct method according to ALPHA criterion and was refined by a block diagonal matrix least-squares procedure to final R= 0.084, Moreover, infared spectra, electronic reflection spectra and cyclic voltammetry curve were mearsured. 相似文献
2.
The electronic, magnetic, and mechanical properties of CaCu3V4O12 are investigated by use of the density functional theory method. The calculated results indicate that CaCu3V4O12 is a half-metallic and ferrimagnetic compound. The magnetic coupling for Cu-V is antiferromagnetic, while those for Cu-Cu and V-V are ferromagnetic. The obtained elastic constants suggest that the compound is mechanically stable. The calculated oxidation states and density of states reveal the existence of a mixed valence for Cu and V. This supports the experimental observation of the mixed valence in Ca(2+)Cu(2+)Cu2(+)(V2(5+)V2(4+))O12. 相似文献
3.
The structure of the new mixed valence compound Ba2F2Fe1.5S3 was solved by means of single crystal X-ray analysis. It crystallizes in an orthorhombic cell, in the Pnma space group with the cell parameters a = 12.528(3) A, b = 18.852(4) A, and c = 6.0896(12) A. The structure is formed by the alternated stacking of fluorite type [Ba2F2]2+ blocks and the newly discovered [Fe1.5S3]2- blocks. This [Fe1.5S3]2- block exhibits a mixed valence of iron with Fe(+II) located in octahedrons and Fe(+III) in tetrahedrons. Preliminary susceptibility measurements suggest a low dimensional antiferromagnetic behavior. 相似文献
4.
Depending on stoichiometry, reactions of the mixed valence Sn(0)/Sn(III) compound Sn(SnAr(3))(2) (1) (Ar = C(6)H(4)(O(i)Pr)(2)-2,6) with the likewise substituted plumbylene PbAr(2) (3) afforded either the homoleptic distannylplumbylene Pb(SnAr(3))(2) (4) or the heteroleptic arylstannylplumbylene Pb(Ar)SnAr(3) (5), a valence isomer of a stannaplumbene. 相似文献
5.
[Ru3(CO)12]与Lawesson试剂[(MeOC6H4PS2)2]反应,合成、分离并用谱学表征了产物三核钌羰合簇[(μ-H)2Ru3(CO)9(μ3-P)](Ⅰ)和四核钌羰合簇[(Ru4(CO)10(μ3-S)(μ3-PC6H4OMe)](Ⅰ).X射线衍射测定了的晶体分子结构,表明含有1个裸磷原子作为面桥基配体,并具有颇短的Ru-Ru键距,该价电子数为49e的簇合物对氧和水稳定.谱学分析表明,化合物具有四面体型的Ru4簇心,其三角形面上分别具有面桥基μ3-S和μ3-PC6H4OMe基配体. 相似文献
6.
YE Ya-Zhen XU Li 《结构化学》2008,27(1):75-77
[K(2,2,2-crypt]2HP11 has been prepared from the reaction of K3P11 with the mixed ethylenediamine/2,2,2-crypt solution. The crystal structure was determined by singlecrystal X-ray diffraction. The crystal is of tdgonal system, space group P^-3c1 with a = 12.068(2), b = 12.068(2), c = 22.319(6)A, V = 2815.0(10)A^3, Dc = 1.384 g/cm^3, C36h73K2N4O12P11, Mr = 1172.85, F(000) = 1232,μ = 0.536 mm^-1, Z= 2, R = 0.0678 and wR = 0.2211 for 1763 observed reflections (I 〉 2σ(I)). In this compound, the P11 cluster has ideal 32-D3 symmetry, and the three-fold axis, corresponds to the crystallographic c axis. The (HP11)^2- anions are stable due to the completely sequestered alkali metal cations through only ion-ion interactions. 相似文献
7.
The crystal structures of the title compound (Ⅰ) and (Ⅱ) have been determined by X-ray diffraction. Crystal data are: C_(17)H_(15)NO_3(Ⅰ), triclinic, α=0.7308(2) nm, b=0.8845(3) nm, c=1.1323(3) nm, α=100.03(2)°, β=104.81(2)°, γ=97.20(2)°, V=0.6856(3) nm, Z=2, R=0.047 and C_(18)H_(17)NO_3(Ⅱ), monoclinic, a=1.1006(3) nm, b=1.1172(2) nm, c=1.4046(3) nm, β=102.78(2)°, V=1.5337(6) nm, Z=4, R=0.055. The molecular conformation is cis form for compound Ⅰ and trans form for compound(Ⅱ). 相似文献
8.
报道四核铜配合物[Cu_2L_2][Cu(pht) _2] _2 [Hpht:苯妥英,即5,5-二苯基-2,2咪唑烷酮;L:N-(3-氨基丙基)二乙醇胺]的溶剂热合成、晶体结构及其性质研究,该晶体属单斜晶系,P2_1/n空间群,晶胞参数:a=0.9240(1) nm,b=2.4559(2) nm,c=1.5572(2) nm,β=97.489(2)°, V=3.5035(7) nm~3,Dc= 1.499 Mg/m~3 (g/cm~3),2-2,F(000)=1636,μ=1.270 mm~(-1),R_1=0.0503,Wr_2=0.1135[I>2σ(1)],GOF=1.014. XPS结合X射线单晶结构分析,表明该配合物分子有混价铜组成,包括两个Cu(Ⅰ)和两个Cu(Ⅱ),其中每个Cu(Ⅰ)分别与两个苯妥英配体提供的氮原子配位,N-Cu(Ⅰ)-N的夹角为177.1°,每个Cu(Ⅱ)与L配体的五个配位原子配位(N_2O_3),形成一个稍变形四方锥结构,两个Cu(Ⅱ)通过N-(3-氨基丙基)二乙醇胺中的一个羟基氧桥连接形成双核阳离子,琼脂扩散法测试结果表明配合物、配体和铜盐对3种受试细菌均有一定的活性.配合物与DNA的相互作用测定研究表明,该配合物是以插入方式与小牛胸腺DNA结合. 相似文献
9.
The novel mixed-ligand neutral compound [Mo3O4(C2O4)2·bipy(H2O)3]·EtOH·2H2O (bipy = 2,2'-bipyridine) has been prepared by the reaction of oxalic acid elution of Mo(Ⅳ) and bipy, and characterized by single-crystal X-ray diffraction analysis and IR. The crystal is of triclinic, space groups P1 with a = 9.5520(2), b = 10.3730(1), c = 13.5722(2) (A), α = 74.940(12), β = 80.772(14), γ = 69.898(11)°, V = 1215.73(11) (A)3, Z = 2, C16H24Mo3N2O18, Mr = 820.19, Dc = 2.241 g/cm3, μ = 1.616 mm-1, F(000) = 808, T= 293(2) K, the final R = 0.0424 and wR = 0.0939 for 4119 observed reflections with Ⅰ> 2σ(Ⅰ). The trinuclear unit is coordinated by mixed ligands of oxalate and bipy. The intermolecular hydrogen bonding interactions among adjacent [Mo3O4(C2O4)2·bipy(H2O)3] extend the compound into a therr-dimensional supramolecular framework. The uncoordinated water molecules and ethal molecules act as space-fillers and consolidate the whole architecture through hydrogen bonding interactions. 相似文献
10.
以2-吡咯甲酰肼与2,4-二羟基苯甲醛和2-羟基-3-甲氧基苯甲醛经缩合反应合成2,4-二羟基苯甲醛-2-吡咯甲酰腙C12H11N3O3(Ⅰ)和2-羟基-3-甲氧基苯甲醛-2-吡咯甲酰腙C13H15N3O4(Ⅱ),并利用红外光谱、元素分析、1H NMR、X射线单晶衍射和热重分析进行表征,结果表明晶体Ⅰ属单斜晶系,空间群为P21/c,Z=4,晶胞参数为a=1.2586(4) nm,b=0.8050(3) nm,c=1.1914(4) nm;晶体Ⅱ为正交晶系,空间群为P212121,Z=4,晶胞参数为a=0.4756(2) nm,b=1.2491(6) nm,c=2.2145(11) nm。 热重结果显示,化合物Ⅰ和Ⅱ最大热分解峰分别出现在267.59和284.79 ℃,表观活化能分别为176.6和122.9 kJ/mol,表明化合物Ⅰ和Ⅱ具有较高的热稳定性。 利用粘度实验和微量热实验研究了化合物Ⅰ和Ⅱ与CT-DNA的相互作用,均显示两种化合物均与CT-DNA发生了插入作用,且相互作用过程放热,焓变值分别为ΔH(Ⅰ)=4.67 kJ/mol和ΔH(Ⅱ)=4.40 kJ/mol。 相似文献