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1.
<正> The electronic structures and bonding properties of the Mo-Cu-S complexes with a general formula [MoS4(CuCN)n]2-(n=1,2)have been investigated by using CNDO/2 method,and the effect of electron transfer on the formation of the Mo-Cu-S complexes has been discussed based on the bonding properties and the energy of the frontier orbitals. 相似文献
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<正> The compound [Et_4N]_2[Fe_2S_2(NO)_4] (M_r=556.36) crystallizes in the monoclinic,space group P 2_1/n with a=9. 688(3), b=10. 882(2), c=12. 625(2), β=97. 86(3)°, Z=2, V=1318. 4, D_c=1. 40g/cm~3, ;μ(MoK_a)=12. 8cm~(-1) and F(000)=588. The final R=0. 028 and R_w=0. 029 for 2041 reflections (I≥3σ(I)).The crystals of [Et_4N]_2[Fe_2S_2(NO)_4] consist of discrete cations [Et_4N]~+ and anions 相似文献
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<正> C8H20O4P2S8W2, Mr = 866. 37, monoclinic, space group P21/ n, α= 10. 122(2),b=12. 813(3),c=18. 267(3) A ;β=90. 25(1)°;7 = 2639(2) A3;Z=4; Dc=2. 43gcm-3;λ(Mo Kα) = 0. 71069A ,μ= 110. 80cm-1,F(000) = 1624,final R = 0. 039 for 2906 observed reflections with I≥3σ(I). The tungsten atom in W2S4[S2P (OEt)2]2 is coordinated by five sulfur atoms,forming a square pyramid. Two WS5 units are linked together by sharing a S-S edge. 相似文献
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<正> C30H30Cu4I2S4MoN6,Mr=1206, orthorhombic, Fdd2, a = 22. 511(4), b= 22.946(4), c=30. 742(6)(?), Z = 16, Dc = 2. 019g/cm3, V = 15879.4 (?)3, μ = 41. 884cm-1, F (000) = 9280. The final R factor is 0. 0279 for 1884 observed reflections with I>3σ(I). Crystal structure analysis shows that the MoS4Cu4 aggregate is formed, each the four copper atoms is linked with two S atoms of the te-trahedral MoS42- core. The average distance between Mo and Cu atoms is 2. 678(?). 相似文献
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<正> The title compounds were prepared from the reation of (NH4)2MS4 (M=W,Mo),AgNO3,NadtcEt2 and Et4NBr in CH3CN-H2O solution. The isomorphous compounds [Bu4N]2[W2Ag3S8Et2du] ( I ) and [Bu4N]2[Mo2Ag3S8Et2dtc] (Ⅱ) crystallize in triclinic space qroup Pi with the following crystal parameters:α=13. 043(4),b = 21. 640(6),c=10. 757(6)A ,α=95. 09(5),β = 91. 90(4),γ = 98. 57(3)°,Z = 2,V = 2987A3,Dc=1. 76g/cm3 for I 5;a= 12. 989(2) ,b=21. 574 (9) ,c= 10. 7/1(1) A .α= 95. 06(7), β=91. 61(4), γ=98. 52(2)°, Z = 2,V = 2961 A3.Dc= 1. 58g/cm3 for Ⅱ . The final R and Rw values are 0. 061 and 0. 072 for Ⅰ ,and 0. 062 and 0. 076 for Ⅱ The M2Ag3 (M = W, Mo) unit in anion M2Ag3S8Et2dtc forms a five-membered ring. 相似文献
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<正> Cu8C24H60O12P6S13,Mt= 1651. 73,trigonal,R3,a=b = c= 12. 667(4) A,α= β=γ=111. 42(1)°.V=1441(2)A3,Z=1,Dc=1. 903g·cm-3,λ(MoKa) = 0. 71073 A ,μ(MoKa) = 35. 671cm-1, F ( 000 ) = 830, 293K. Final R = 0. 066,Rw= 0. 077 for 850 unique intensity data (I≥3σ(I)). Each unit cell of the crystal comprises of a neutral molecule of formula Cu8S(dtp)6[dtp=S2P(OEt)2],wherein the eight copper atoms are arranged at the corners of regular cube,with each dtp ligand μ4-bridged to each face of the cube and a μ8-S in the center bonded to all the eight copper atoms. Each copper atom is coordinated by four sulfur atoms in a tetrahedral configuration. The bond lengths of Cu-(μ8-S) are in the range of 2. 627(2)-2. 543(2) A ,those of Cu-S(dtp)in the range of 2. 251-2. 280A.The adjacent Cu-Cu bond lengths (2. 950(5)-3. 070(2) A) show a weak interaction between the copper atoms 相似文献
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《结构化学》1985,(3)
<正> INTRODUCTION. On the basis of the 'Reactive Fragment Rypothesis' proposed by Prof. Lu Jiaxi in 1981 for the active center of the nitrogenase, the IR spectra of some linear Mo-Fe-S clusters so-called 'fragment' compounds, have been studied and the empirical assignments have been made 相似文献
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采用单柱离子色谱法对纸浆滤液中的有害离子SO_4~(2-)、S_2O_3~(2-)进行测定.用lmmol·L~(-1)柠檬酸钠溶液作为淋洗液,在6min内完成分离测定.有良好的线性关系和重现性.标准回收率分别为99.82%和98.48%,共存离子基本不干扰测定. 相似文献
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双核Mo-Fe-S原子簇配合物[Fe(2,2′-bpy)_3][S_2MoS_2FeCl_2],是(Et_4N)_2MoS_4、FeCl_2和2,2′-联吡啶在乙腈中反应得到的结晶化合物.晶体属单斜晶系,空间群P2_1/c;a=9.328(3),b=26.788(2),c=13.764(3)(?);β=95.38(3)°;V=3424.2(11)(?)~3;Z=4;D_c=1.698g/cm~3;F(000)=1752.晶体结构用直按法解出;经全矩阵最小二乘法修正,最后R=0.068,R_ω=0.071(3933个I>3(?)(I)的独立衍射).在晶体结构中配位阴离子[S_2MoS_2FeCl_2]~(2-)是排布在阳离子[Fe(2,2′-bpy)_3]~(2+)所形成的空腔中.它是以非统计分布的形式存在,从而较准确地测定了各项键参数.Mo…Fe距离为2.773(2)(?),Mo-S_b和Fe-S_b有大致相等的键长. 相似文献
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《结构化学》1985,(1)
<正> Introduction. On the basis of the "Fragment Proposition" for the nitrogen fixing active center of the nitrogenase by Prof. Lu Jiaxi in 1981, a series of "fragment" compounds has been synthesized and characterized by sereral structural analysis methods. As a part of these works, a result of normal coordinates analysis on the [Fe_2S_2Cl_4]~(2-) dianion is reported in this paper. 相似文献
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《结构化学》1992,(5)
<正> The reaction of [Et4N][Mo(CO)4(S2CNEt2)] with tetraethylam-monium tetrathiomolybdate affords a new mixed-valence dinuclear molybdenum complex [Et4N]2[(CO)4MoS2MoS2] (1). 1 crystallizes in the orthorhombic space group Pbom with a = 18.403(2), b = 11.963(1), c= 13. 482(1)(?) , Z = 4, V = 2986(?)3, Dc=1. 55g/cm3, Mr = 6S2. 69. R =0. 042 and Rw =0. 057 for 1975 independent reflections with I≥3σ(I), F(000) = 1416, μ =11. 2cm-1. The structure of the anion of 1 consists of an octahedron for the lowvalent Mo atom and a tetrahedron for the high-valent Mo atom sharing an S - S edge. The Mo - Mo bond distance is 2. 992 (2) (?) and the bimetallic center MoS2Mo is planar with Mo-S of 2. 517 and 2. 231 A and MoSMo angles of 78. 04° and 77. 67°. The electron delocalization between the two Mo atoms with wide separated oxidation states is also discussed. 相似文献
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《结构化学》1985,(2)
<正> INTRODUCTION. Resently a series of M2-type trinuclear Mo clusters with the formula {Mo_3(μ-Y)(S_2)_3[S_2P(OEt)_2]_2]_3}X, (Y=O or S; X=Cl or I) have been synthesized by our research group through either the reduction of the higher valence Mo(V) compounds or the oxidation of the middle valence Mo(Ⅲ) species. In this paper we report a novel type of cluster cation 相似文献
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SYNTHESIS AND CRYSTAL STRUCTURE OF A TUNGSTEN-COPPER-SULFUR CLUSTER [Et_4N]_2[WCU_3S_4(S_2CNEt_2)_3]
《结构化学》1991,(3)
<正> [Et4N]2 [WCu3S4 (S2CNEt2)3], Mr = 1172. 01, orthorhombic, space group P212121 with a=12. 858(9),b=13. 204(5) ,c=29. 501(9) A ,V=5008. 7 A3, Z = 4, Dc = 1. 55gcm-3, μ(MoKa) = 40. 3cm-1. The final R and Rw are 0. 069 and 0. 075, respectively, for 3072 observed unique reflections. The anion contains a slightly distorted WS42~ tetrahedron coordinated by three CuS2 CNEt2 units,with four metal atoms lying in a plane. 相似文献