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The complexes [Bu4N]2+[PtBr6]2− (I), [Ph4P]2+[PtBr6]2− (II), and [Ph3(n-Am)P]2+ (III) are synthesized by the reactions of tetrabutylammonium bromide, tetraphenylphosphonium bromide, and triphenyl(n-amyl)-tetraphenylphosphonium bromide, respectively, with potassium hexabromoplatinate (mole ratio 2: 1). After recrystallization from dimethyl sulfoxide, complexes I, II, and III transform into [Bu4N]+[PtBr5(DMSO)] (IV), [Ph4P]+[PtBr5(DMSO)] (V), and [Ph3(n-Am)P]+[PtBr5(DMSO)] (VI). According to the X-ray diffraction data, the cations of complexes IVVI have a slightly distorted tetrahedral structure. The N-C and P-C bond lengths are 1.492(7)–1.533(6) and 1.782(10)–1.805(10) ?, respectively. The platinum atoms in the mononuclear anions are hexacoordinated. The dimethyl sulfoxide ligands are coordinated with the Pt atom through the sulfur atom (Pt-S 2.3280(18)–2.3389(11) ?). The Pt-Br bond lengths are 2.4330(6)–2.4724(6) ?.  相似文献   

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以1,5-二氟-2,4-二硝基苯和3,4,5-三甲氧基甲苯为起始原料,经环化、甲基化、硝化和去甲基化反应,合成了一种新型杯芳烃衍生物,其结构经1H NMR,13C NMR,15N NMR和元素分析表征。   相似文献   

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情绪化学*     
喜怒哀乐、积极消极、兴奋疲惫······种种情绪仿佛都源于我们所遇到的人事物,但从生命物质作用关系的角度去看待,其实是身体因为外部诱因和氛围应激产生的一系列化学物质与化学转化带来的表达。在外部事件的触发下,激素和神经递质(化学信使)这些化合物引起我们感受到某种情绪;不同情绪的产生,又会进一步反馈激发身体内相应物质的分泌。本文阐述了各种情绪和与之相关的化学分子之间的对应关系、转化关系和溯源关系。  相似文献   

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The laser-induced fluorescence excitation spectrum of CoC was recorded in the spectral region from 13500 cm-1 to 22000 cm-1, in which the CoC molecules were produced by the reaction of sputtered cobalt atoms with methanol under supersonic jet cooled conditions. Much of the visible spectrum was assigned to transitions between the X2∑+ ground state and F2∑+ state. The 11 bands assigned as (v’=3-13, 0) transitions of the F2∑+- X2∑+ band system were observed and rotationally analyzed. Equilibrium constants for the F2∑+ state were Te=1362 cm-1, ωe=669 cm-1 ,ωe?e=4.3 cm-1, Be=0.546 cm-1, and Re=1.758A. Some new bands were observed.  相似文献   

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谢安东  朱正和 《化学学报》2005,63(23):2126-2130
使用SAC/SAC-CI和D95++,6-311++g,6-311++g**及D95(d)基组,分别对BF分子的基态X1∑+、第一简并激发态A1∏和第二激发态B1∑+的平衡结构和谐振频率进行优化计算.对所有计算结果进行比较,得出6-311++g**基组为最优基组.运用6-311++g**基组和SAC方法对基态X1∑+,SAC-CI方法对激发态A1∏和B1∑+进行单点能扫描计算,并用正规方程组拟合Murrell-Sorbie函数,得到相应电子态的势能函数解析式,由得到的势能函数计算了与X1∑+,A1∏和B1∑+态相对应的光谱常数,结果与实验数据较为一致.  相似文献   

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A novel compound, [MnPhen3][(B9C2H11)Co(B8C2H10)Co(B9C2H11)]· CH3CN (Phen = 1,10-phenantroline), comprising a Co(III) dicobaltacarborane cluster anion has been prepared and characterized by single crystal X-ray diffraction. Crystal data are the following: C44H59B26N7Co2Mn, M = 1139.84, triclinic, space group , unit cell parameters: a = 13.2465(11) Å, b = 14.521(2) Å, c = 15.2536(15) Å; α = 77.027(9)°, β = 88.500(8)°, γ = 77.274(9)°; V = 2788.5(5) Å3, Z = 2, d calc = 1.358 g/cm3, T = 295 K, F(000) = 1162, μ = 0.853 mm−1. The structure was solved by the direct and Fourier methods and refined anisotropically (isotropically for hydrogen atoms) using the full-matrix technique to final factors R 1 = 0.0374, wR 2 = 0.0915 for 7397 I hkl ≥2σI of 9779 I hkl measured (diffractometer Enraf-Nonius CAD-4, λMoK α , graphite monochromator, θ/2θ-scanning). The structure is formed from [MnPhen3]2+ cations, [(B9C2H11)×Co(B8C2H10)Co(B9C2H11)]2− anions, and acetonitrile molecules CH3CN. Central Mn atom in the cation has a distorted octahedral coordination environment formed by six nitrogen atoms of three bi-dentate Phen ligands, average Mn-N bond length being 2.263(2) Å. The anion has a chain-like structure built from three icosahedra sharing common vertices occupied by the cobalt atoms. The central icosahedron including ten light atoms (8B, 2C) provides two vertices for the cobalt atoms shared with the other icosahedra having 11 light atoms (9B, 2C). The arrangement of-C2-groups in the anion corresponds to a quasi-gauche-configuration of asymmetric sandwich complexes of both cobalt atoms. Original Russian Text Copyright ? 2005 by T. M. Polyanskaya, V. V. Volkov, and M. K. Drozdova __________ Translated from Zhurnal Strukturnoi Khimii, Vol. 46, No. 4, pp.730–740, July–August, 2005.  相似文献   

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谢安东  朱正和 《化学学报》2005,63(23):2126-2130
使用SAC/SAC-CI和D95++, 6-311++g, 6-311++g**及D95(d)基组, 分别对BF分子的基态X1Σ、第一简并激发态A1Π和第二激发态B1Σ的平衡结构和谐振频率进行优化计算. 对所有计算结果进行比较, 得出6-311++g**基组为最优基组. 运用6-311++g**基组和SAC方法对基态X1Σ, SAC-CI方法对激发态A1Π和B1Σ进行单点能扫描计算, 并用正规方程组拟合Murrell-Sorbie函数, 得到相应电子态的势能函数解析式, 由得到的势能函数计算了与X1Σ, A1Π和B1Σ态相对应的光谱常数, 结果与实验数据较为一致.  相似文献   

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Two multiple-layer heterometallic MnII–AgI coordination polymers, {MnII(ampyz)(H2O)[Ag2I(CN)3][AgI(CN)2]·ampyz} n (1) and {[MnII(benzim)2[AgI(CN)2]2][(benzim)AgI(CN)]·H2O} n (2) where ampyz = 2-aminopyrazine and benzim = benzimidazole, have been prepared and structurally characterized. Compound 1 reveals a multiple-layer two-dimensional network with strong hexanuclear argentophilic interactions leading to an infinite three-dimensional framework. Compound 2 has an unprecedented double-layer two-dimensional squared grid-type network with (4,4) topology through AgI···AgI and π–π interactions between two adjacent squared layers. These double-layer networks of 2 are linked to others by π–π interactions, leading to a three-dimensional framework.  相似文献   

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毒品与化学*     
毒品与化学的种种纠葛在2018年中国毒品形势报告中得到了淋漓尽致的体现,因此为做好禁毒工作,必须厘清化学与毒品的关系。从为什么毒品是化学品(毒品的本质),毒品检验和识别,毒品成瘾的本质,由传统毒品到新型毒品的转变等4个方面系统阐述毒品与化学的关系。  相似文献   

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硫是固态同素异形体数量最多的元素。但就单质硫的同素异形体而言,教材中并没有详细概述。根据硫化学的研究进展,全面考察了硫的同素异形体的种类,讨论了它们的制备、晶体结构及其相互转化,着重体现了科学技术对其同素异形体扩展的重要作用,完善了硫同素异形体在教学中的深入介绍。同时,也体现了科学研究对本科教学内容改革的推进作用。  相似文献   

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Mercury complexes [Ph3AlkP]2+[Hg2I6]2− and [Ph3AlkP]2+[Hg4I10]2− (R = Me, Et, Pr, iso-Pr, Bu, iso-Bu) are synthesized by the reactions of triphenylalkylphosphonium Ph3AlkPI with mercury iodide in acetone with the mole ratio 1: 1 and 1: 2, respectively. According to X-ray diffraction data, the phosphorus atom in the cations of the [Ph3(iso-Pr)P]2+[Hg2I6]2−, [Ph3BuP]2+[Hg2I6]2−, and [Ph3(iso-Pr)P]2+[Hg4I10]2− complexes has a distorted tetrahedral coordination. The CPC bond angles and P-C bond lengths vary within 107.3(4)°-112.0(4)° and 1.774(8)-1.827(7) ?. In the [Hg2I6]2− centrosymmetric binuclear anions, the mercury atoms of tetrahedral coordination lie in two near-perpendicular Hg2I6planes. Hg4I4 eight-membered cycles of the [Hg4I10]2− tetranuclear anion are joined into polymeric chains through Hg … I coordination bonds (3.334, 3.681 &OA) due to which Hg atoms have a trigonal bipyramidal coordination. Original Russian Text ? V.V. Sharutin, V.S. Senchurin, N.N. Klepikov, O.K. Sharutina, 2009, published in Zhurnal Neorganicheskoi Khimii, 2009, Vol. 54, No. 2, pp. 267–273.  相似文献   

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