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A new nickel(Ⅱ)-dicyanamide compound, [Ni(dca)2(en)]n (1) (dca=dicyanamide anion, [N(CN)2]-); en=ethylene diamine), has been synthesized and its structure has been determined by single crystal X-ray diffraction analysis. The crystal is monoclinic, space group P21/n with unit cell dimensions: a=0.694 3(1) nm, b=1.041 5(2) nm, c=1.4132(2) nm, and β=90.381°, Z=4, V=1.011 0(3) nm3. In this compound, the adjacent nickel atoms are connected by dca all in μ1,5-bridging mode to form ladder-like units, which are linked with double dca bridges to generate a regular infinite stair-like structure. Temperature-dependent magnetic susceptibility was also characterized for this compound. CCDC: 208276. 相似文献
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Co2(CO8)分别与4种硫代乙内酰脲S=CNHC(O)C(R1)(R2)N(COR3)反应,得到4个新的含硫代乙内酰脲桥基双齿配位的三核钴羰基硫簇合物.用元素分析、IR、1HNMR和MS等手段表征了它们的结构,用X射线衍射测定了其中一个簇合物CO3(CO)7(μ3-S)[μ,η2-SCNC(O)C(CH3)(CH3)N(COCH3)](IV)的晶体结构,晶体属三斜晶系,P1空间群,晶胞参数:a=0.8456(3)nm,b=1.1534(3)nm,c=1.1990(4)nm;a=107.36(3)°,β=108.44(5)°,γ=90.18(3)°;V=1.052(6)nm3,Z=2,F(000)=584,Dc=1.86g/cm3,μ=25.71cm-1,最终偏离因子R=0.046,Rw=0.058. 相似文献
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1 INTRODUCTION Studies on the system comprising ions with un-quenched orbital angular moment have been ofinterest for many years in the design of new mole-cular magnetic materials[1~5], among which thecompounds of cobalt (II) ions are especially attrac… 相似文献
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甲醇在Au(111)表面吸附的密度泛函研究 总被引:2,自引:0,他引:2
采用基于第一性原理的密度泛函理论和周期平板模型相结合的方法,对CH3OH分子在Au(111)表面top, fcc, hcp和bridge位的吸附模型进行了构型优化、能量计算以及Mulliken布居分析,结果表明top位是较有利的吸附位. 吸附的CH3OH解离产生甲氧基CH3O和H, 对它们在Au(111)面的吸附进行的计算表明, bridge和fcc位分别是二者的最佳吸附位. 对过渡态的计算给出了CH3OH在Au表面解离吸附的可能机理: 首先发生 O-H 键的断裂,继而生成甲氧基中间体. 相似文献
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李双代数的量子化是获取新的量子群的重要方法.本文通过Drinfel'd扭元,对一类Schr(o|¨)dinger-Virasoro型李代数进行了量子化,得到了一类既非交换又非余交换的Hopf代数. 相似文献
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The reaction of L-histidine,CdCl2(2.5H2O and 4,4'-bipyridine in methane/water gave rise to a two-dimensional coordination polymer [CdCl2(4,4'-bipyridine)]( which has been characterized by single-crystal X-ray diffraction.The polymer crystallizes in the orthorhombic sys-tem,space group Cmmm with a = 12.083(7),b = 11.771(7),c = 3.781(2)(A),V = 537.8(6)(A)3,Z = 2,C10H8N2CdCl2,Mr = 339.48,Dc = 2.097 g/cm3,F(000) = 328 and μ(MoKα) = 2.490 mm-1.The final R = 0.0658 and wR = 0.1398 for 257 observed reflections with I≥2σ(I). 相似文献
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