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用266nm激光光解CHBr3分子产生CH(C)态自由基,通过测量CH(C^2Σ^+→X^2Ⅱ)的总荧光信号强度来测定室温下O2、N2、n-C5H12、n-C6H14和n-C7H16对CH(C2Σ^+,v′=0)的猝灭常数。结果表明,这些碰撞伴侣(O2和N2例外)对CH(X、A、B和C)的反应或猝灭速率常数k存在下列关系:k(X)〉k(B)〉k(A)≈k(C),且烷烃分子对CH(C)态的猝灭速率常 相似文献
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翁维正 《高等学校化学学报》1994,15(2):173-177
采用NMR方法考察了室温和低温(-78~-60℃)下Pd2X2(dpm)2(X=NCO^-,CH3CO^-2,SCN^-和NO^-3,dpm=Ph2PCH2PPh2)与H2S在CD2Cl2或CDCl3中的反应。结果表明,在X=NCO^-和CH3CO^-2的情况下,H2S优先与这些Pd配合物的阴离子作用生成相应的共轭酸HX和Pd2(SH)2(dpm)2,后者在H2S存在下又进一步转化为Pd2(SH) 相似文献
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报道了配合物Eu(XnP)3.3H2O「其中X=H,2-Cl,3-OH,4-Br,3-NO2,2-OCH3,2-CH3,2,4-二氯;P=2-(COO)C6H4CONHC6H5-^-,n=1,2」的制备,并用元素分析,红外光谱,电子反射光谱,热重分析进行了表征。 相似文献
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用X射线衍微法测定了由η^5-MeO2CC5H4(CO)3MoNa和〔(η^5-MeO2CC5H4)(CO)2W〕Fe-(CO)3Co(CO)3(μ3-S)的等瓣置换反应所生成的手性簇合物-〔(η^5-MeO2CC5H4)(CO)2Mo〕-〔(η^5-MeO2CC5H4)(CO)2W〕Fe(CO)3(μ3-S)的分子结构及晶体结构。晶体属P1空间群,晶胞参数a=0.87162(5)nm,b=0.8 相似文献
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三羰基环戊二烯基钼负离子与1,3-二卤丙烷在一缩二乙二醇二甲醚介质中反应,生成环卡宾配合物CpMoX(CO2)CO(CH2)2CH2(X=Br.I)硅桥连双环戊二烯基三羰基钼负离子与1,3-二卤丙烷顺利地进行类似反应,生成相应的硅桥连双(环卡宾钼配合物)-E(C5H1MoX(CO)2CO(CH2)2CH2)2(E=Me2Si,Me2SiSiMe2,Me2SiOSiMe2),化合物硅氧硅桥联二茂二钼 相似文献
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The reaction dynamics of methylene radical CH2(X3B1) with N2O was investigated by Time-Resolved Fourier Transform Infrared Spectroscopy(TR-FTIRS). Pure CH2(X3B1) radicalwas produced via laser photolysis of ketene at 351 nm. Nascent viabrationally excited products CO, NO and HCN were observed. Some reaction pathways which may lead to these products were proposed and a possible reaction mechanism was outlined. 相似文献
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The reaction of methylene radicals in their 3 B1 electronic ground state with molecular NO was studied. Pure CH2(X 3 B1 ) radicals were produced by UV photolysis of ketene at 351 nm. The products were measured by Time-Resolved Fourier Transform Infrared (TR-FTIR) spectrometer. CO.OH .NH2 and HOCN or its isomer HNCO were found as primary products and several possible channels of this reaction were suggested. 相似文献
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CH2+O2反应的反应机理 总被引:3,自引:0,他引:3
The mechanisms of the CH2+ O2→ H2O+ CO and CH2+ O2→ H2+ CO2 reactions have been studied by performing ab initio CAS(8,8)/6-31G(d,p) calculations, and five intermediates(IMn) and eight transitions(TSn) have been located along the reaction paths. The predicted path for the CH2+ O2→ H2O+ CO is: CH2+ O2→ TS1→ IM1→ TS2→ IM2→ TS3→ IM3→ TS4→ IM4a→ TS5→ H2O+ CO. For the CH2+ O2→ H2+ CO2 reaction, there are two paths: (i) CH2+ O2→ TS1→ IM1→ TS2→ IM2→ TS3→ IM3→ TS6→ H2+ CO2 and (ii) CH2+ O2→ TS1→ IM1→ TS2→ IM2→ TS3→ IM3→ TS4→ IM4a→ TS7→ IM4b→ TS8→ H2+ CO2, with the latter path more favorable energetically. 相似文献
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Tian-cheng Xiang ;Huan Wang ;Kun-hui Liu ;Hong-mei Zhao ;Wei-qiang Wu ;Hong-mei Su 《化学物理学报(中文版)》2009,22(6):673-680
The product channels and mechanisms of the C2HC12+O2 reaction are investigated by step-scan time-resolved Fourier transform infrared emission spectroscopy and the G3MP2// B3LYP/6-311G(d,p) level of electronic structure calculations. Vibrationally excited products of HCI, CO, and CO2 are observed in the IR emission spectra and the product vibrational state distribution are determined which shows that HCI and CO are vibrationally excited with the nascent average vibrational energy estimated to be 59.8 and 51.8 kJ/mol respectively. In combination with the G3MP2//B3LYP/6-311G(d,p) calculations, the reaction mechanisms have been characterized and the energetically favorable reaction pathways have been suggested. 相似文献
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在密度泛函理论B3LYP/6-311++G(d,p)及MP2/6-311++G(d,p)水平上研究了单电子锂键复合物Y…Li—CH3[Y=CH3, CH2CH3, CH(CH3)2, C(CH3)3]的结构与性质. 结果表明, 三种单电子锂键复合物H3CH2C…Li—CH3(II), (H3C)2HC…Li—CH3(III)和(H3C)3C…Li—CH3(IV)单电子锂键强度依II(-26.7 kJ·mol-1)相似文献
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CO2和CH3OH直接合成碳酸二甲酯Cu-Ni/V2O5-SiO2催化剂 总被引:11,自引:0,他引:11
采用表面反应改性法制备了V2O5-SiO2(VSiO)表面复合物,用等体积浸渍法制备了VSiO担载的Cu-Ni双金属催化剂,用IR,TPD,TPSR和微反技术研究了CO2和CH3OH在催化剂表面上的化学吸附与反应性能。结果表明,在Cu-Ni/VSiO催化剂上存在着金属位Cu-Ni合金,Lewis酸位V^n+和Lewis碱位V=O三类活性中心;CO2在金属位和Lewis酸位协同作用下可生成CO2卧式 相似文献
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The elementary reaction of C2H3+ NO has been reported for the first time in this paper.C2H3 radical was produced by laser photolysis of vinyl bromide at 248 nm. Vibrationally excited reaction products H2CO,NCO and HCN were observed. Two exothermic reaction channels leading to HCN+ H2CO and CH3+ NCO are identified. 相似文献
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The reactions of CH3CF2O2 with HOO are important chemical cyclic processes of photochemical contamination. In this paper, the reaction pathways and reaction mechanism of CH3CF2O2+HOO are investigated extensively with the Gaussian 98 package at the B3LYP/6-311++G** basis sets. The use of vibrational mode analysis and electron population analysis to reveal the reaction mechanism is firstly reported. The study shows that CH3CF2CO2+HOO→IM1→TS1→CH3CF2O2H+O2 channel is the energetically most favorable, CH3CF2CO2H and O2 are the principal products, and the formation of CH3OH and CF2O is also possible. 相似文献