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1.
本文报道了含双端氧配位的Mo—Fe—S原子簇化合物[Fe(MoS_4O)_2][N(C_2H_5)_4]_3的合成、晶体结构和分子结构。该化合物的晶体属单斜晶系,P2_1/n空间群,晶胞参数为:a=13.019(4),b=16.959(5),c=18.234(5),β=97.34(2)(°),z=4。最终一致性因子为:R=0.0740,R_w=0.0598。该化合物中的Mo—S_t端键和Mo—S_b桥键比不合端氧配位的相应化合物Mo—S键长长得多,可能是由于Mo的价态降低和氧的电负性比硫大得多,氧对Mo的配位使s→→O发生电荷转移的缘故。 相似文献
2.
N'-(2tetrahydrofuranyl)-5-fluorourancil, C_8H_9FN_2O_3,, crystals are triclinic system, a=6.004(2),b=9.022(8),c=16.702(11),α = 99.78(6),β=93.48(3),γ=94.18(6)°. Space group P,Z=4. The diffraction data (Mo K radiation) were collected with Nicolet R3 four-circle diffractometer. The structure was determined by SHELXTL direct methods and refined by least-squares program, R=0.078, Rw=0.069.The structure determination results show that the phase angles of pseudorotation in tetrahydrofuran ring are P=218.6°(mol. 1) and P=177.9°(mol. 2) respectively. Both molecules 1 and 2 arc of the type S[C(6)endo-C(7) exo]. The orientation of the uracil with respect to five-membered ring is positive, x=-53.1 (mol. 1) and x=-18.4(mol. 2). 相似文献
3.
呋喃氟脲嘧啶C_8H_9FN_2O_3晶体属三斜晶系,a=6.0044(23),b=9.0221(80),c=16.7021(109),α=99.779(59),β=93.426(43),γ=94.178(55)°。空间群P_1~-,Z=4。用Nicolet R3四圆衍射仪收集强度数据,结构由SHELXTL系统的直接法解出。经最小二乘修正,R=0.078,R_w=0.069。结构测定结果表明,四氢呋喃环具有假旋转角P=218.6°(分子1)和P=177.9°(分子2),两个分子均为S型构造[C(6)endo—C(7)exo]。脲嘧啶基相对于五元环具有正的取向,x=—53.1(分子1)和x=—18.4(分子2) 相似文献
4.
[Mo_2FeS_8O_2][Et_4N]_3·CH_3CN晶体属三斜晶系,PI空间群.α=9.998(1)A,b=13.868(3)A,c=16.796(3)A,α=74.66(2)°,β=85.41(1)°,ν=72.21(1)°,Ζ=2.结构参数经块矩阵最小二乘法精修后,最后的偏离因子R=0.037,R_w=0.034.平均键长Mo—Fe为2.722A,Mo—S为2.358A,Fe—S为2.244A,Mo—O为1.697A.结果表明:标题化合物是一个结构新颖的原子簇化合物.它是由一个三价原子簇阴离子与三个一价的乙基季铵阳离子靠静电引力结合在一起,又溶剂合一个乙氰分子的原子簇化合物而形成. 相似文献
5.
[Fe(MoS_4O)_2] [N(C_2H_3)_4]_3 cluster compound with di-end-oxygen ligands has been prepared and characterized by the X-ray diffraction method. The compound crystallizes in a monoclinic space group P2_1/n with lattice parameters a=13.019(4), b=16.959(5), c=18.234(5), β=97.34(2)(°), Z=4. The final agreement factors are R=0.0740, Rw=0.0598. The terminal bond length, Mo-S_t and bridged one, MO-S_b for the compound are much longer than the counterpart without end-oxygen ligand. It possibly suggests that low valence of molybdenum and smaller electronegativity of sulphur than oxygen lead to the charge transfer as S→Mo→O. 相似文献
6.
采用Gly-Glyo,2,2'-联吡啶与Cu(NO3)2·H2O在二次水溶液中反应,合成了以Gly-Glyo作为中继基的新型双核配合物.经X射线单晶结构分析确定该配合物晶体的化学结构式[(C10H8N2)Cu(H2NCH2CONHCH2COO)Cu(C10H8N2)2](NO3)3.晶体属三斜晶系,P1空间群,晶胞参数:a=1.4268nm,b=1.1754nm,c=1.4059nm,α=104.01°,β=91.56°,γ=72.22°,Z=2.衍射数据在NicoletXRDR3型四圆衍射仪上收集,结构参数经块矩阵最小二乘法精修后,最终一致性因子R值为0.070. 相似文献
7.
将Gly-GlyO、4,4'-联吡啶与Cu(NO_3)_2·H_2O在二次水溶液中反应,合成出以4,4'-bpy为中继基、Cly-GlyO为螯环的新型双核铜配合物,经X射线单晶结构分析确定该配合物晶体的化学结构式为[(H_2NCH_2CONHCH_2COO)Cu(OH)(C_(10)H_8N_2)Cu(ON)(H_2NCH_2CONHCH_2COO)]·9H_2O.晶体属P 空间群,晶胞参数a=1.1412nm,b=1.2298nm,c=1.4269nm,α=113.82°,β=101.91°,γ=103.64°,Z=2.最终一致性因子R值为0.068,R_w值为0.057,标准偏差σ=0.1951。 相似文献
8.
将Gly-GlyO,4,4'-联吡啶与Cu(NO3)2.H2O在二次水溶液中反应,合成出以4,4'-bpy为中继基,Cly-GlyO为螯环的新型双核铜配合物,经X射线单晶结构分析确定该配合物晶体的化学结构式为[(H2NCH2CONHCH2COO)Cu(OH)(C10H8N2)Cu(OH)(H2NCH2CONHCH2COO)].9H2O。晶体属P1空间群,晶胞参数α=1.1412nm,b=1.229 相似文献
9.
In this paper, we report a new Mo-Fe-S cluster complex containing an oxygen ligand. Itwas synthesized by the reaction of (NH_4)_2 MoS_4, FeCl_3 in the solution of sodium glycol. The chemical formula of the crystal, [(MoS_4) Fe (MoS_4O)] [(C_4H_9)_4N]_3, was characterized byX-ray. This complex was determined by IR, UV/Vis and Mossbauer spectra as well. The re-suits from Mossbauer spectra of the complex show an isomer shift, δ_m = 0.2263mm/s and aquadrupole splitting, E_q = 0.4527mm/s. The complex has some activity for the reduetion of aectylene to ethylene in the presenceof KBH_4. 相似文献
10.
钼铁硫簇合物的合成、结构和性质研究 总被引:2,自引:1,他引:2
本文综合报导[(C_4H_9)_4N]_3[Fe(MoS_4)_2O],[(C_2H_5)_4N]_3[Fe(MoS_4)_2O_2],[(C_2H_5)_4N]_3 [Fe(MoS_4)_2O_2]·CH_3CH,[(C_4H_9)_4M]_2[Mo_2S_6O_2],[(C_2H_5)_4N]_3{[(SCH_2CH_2S)MoS_3]_2Fe}和[(C_2H_5)_4N]_4[Fe_6S_9(SCH_2CH_2OH)Cl]六种簇合物的合成、结构和性质研究。在Nicolct R_3 system四园单晶衍射仪上,用CuK_a(MoK_a)辐射收集数据,用SHELXTL程序,重原子法解出这些簇合物的晶体结构。用红外光谱,紫外可见光谱和穆斯堡尔谱对簇合物进行了物理性质的测定。同时在还原剂KBH_4存在下,对簇合物的催化乙炔还原为乙烯的活性也进行了测定。并结合量子化学计算探讨了簇合物的电子结构和性能之间的关系。 相似文献