Ionization and Fragmentation of Butanone Clusters Irradiated by Photons at 355 and 118 nm

Time-of-flight(TOF) mass spectra of molecular butanone clusters were measured under the irradiation of photons at 355 and 118 nm. Butanone molecular parent ion and several series of butanone cluster fragments such as (CH3COC2H5)nH+, (CH3COC2H5)nC2H5+, (CH3COC2H5)nCH3CO+ and (CH3COC2H5)nC2H5CO+ were observed. Odd-even variation pattern in the intensity of (CH3COC2H5)nCH3CO+ is obvious from n=4 to 8. A connection is es-tablished between the fragment clusters (CH3COC2H5)nCH3CO+ and the neutral clusters (CH3COC...     

气相色谱法测定工作场所空气中正己烷、丙酮、丁酮和乙酸丁酯的含量

用气相色谱法对空气中正己烷、丙酮、丁酮和乙酸丁酯的含量进行测定。采用活性炭管采集了空气中的正己烷、丙酮、丁酮和乙酸丁酯,采用二硫化碳进行解吸,用Agilent 19091N-216HP-INNOWAX Polyethylene Glycol毛细管色谱柱分离,氢焰离子化检测器检测。正己烷、丙酮、丁酮和乙酸丁酯的检出限(3S/N)为0.43,0.30,0.44,1.7mg.L-1。方法的解吸率在86.7%～100.3%之间,相对标准偏差(n=6)在1.97%～3.89%之间。     

气相色谱法测定环境空气和废气中的2-丁酮和苯

用活性炭吸附环境空气和废气中的2－丁酮和苯，经二硫化碳解吸后用气相色谱法测定。方法的回收率2－丁酮为86．2％－104．6％， 为91．3％－105．7％。相对标准偏差2－丁酮为2．5％－2．8％，苯为2．5％－3．8％，当采样体积为20L，解吸液体积为2.00ml，进样体积为2μl时，2－丁酮和苯的最低检测浓度分别为0.03mg.m^-3和0.01mg.m^-3。     

Analysis of Potential Energy Surface for Butanone Isomerization

The potential energy surfaces for butanone isomerization have been investigated by density function theory calculation. Six main reaction pathways are confirmed using the intrinsic reaction coordinate method, and the corresponding isomerization products are 1-buten-2-ol, 2-buten-2-ol, butanal or 1-buten-l-ol, methyl 1-propenyl ether, methyl allyl ether, and ethyl vinyl ether, respectively. Among them, there are three pathways through butylene oxide, indicating butylene oxide is an important intermediate product during butanone isomer ization. The calculated vertical ionization energies of the reactant and its products are in a good agreement with the experimental values available. From the consideration for the relative energies Of transition states and the number of high-energy barriers we infer that the reaction pathway butanone-＊l-buten-2-ol---2-buten-2-oi is the most competitive. The obtained results are informative for future studies on isomerization of ketone molecules.     

丁酮异构化的势能面分析

用密度泛函理论计算研究了丁酮异构化的势能面. 通过IRC方法确定了丁酮异构化的6个主要反应路径,相应的产物分别为1-丁烯-2-醇、2-丁烯-2-醇、丁醛或1-丁烯-1-醇、丙烯基甲醚、甲基烯丙基醚和乙烯基乙醚. 其中3个路径经过环氧丁烷,表明环氧丁烷是丁酮异构化过程中重要的中间产物. 计算得到的反应物和产物的垂直电离能与现有的实验值吻合得很好. 通过过渡态的相对能量和高能垒的数目比较,认为最可行的丁酮异构化反应路径是丁酮→1-丁烯-2-醇→2-丁烯-2-醇.     

355nm激光作用下丁酮多光子电离质谱信号分析

为研究由氢键形成的超分子体系内的质子化构型,利用355nm共振增强多光子电离(REMPI)技术结合飞行时间质谱(TOF-MS)得到丁酮多光子电离系列团簇质谱.实验没有观测到丁酮母体的团簇信号,只测到丁酮解离、异构后的异丙醇团簇离子,为丁酮解离、异构提供了很有意义的实验数据.     

萃取剂呋喃丁酮四聚体的合成及其谱学研究

本文应用丁酮与呋喃为原料,在浓盐酸和乙醇介质中合成了萃取剂呋喃丁本文酮四聚体,产率约３０％,对产品进行了元素定量、红外光谱和核磁共振谱分析。     

Two-dimensional correlation spectroscopic studies on coordination between carbonyl group of butanone and metalions

Two dimensional asynchronous spectra were used to characterize coordination between carbonyl group of butanone and metal ions by using an approach proposed in our recent paper.Spectral variation of n-π~*transition band of carbonyl group is used to probe the coordination even if metal ions does not possess any characteristic peak in spectra.Experimental results indicate that Ca~(2+) and Al~(3+) show considerable ability to coordinate with the carbonyl group of butanone and bring about spectral variation of the n-π~*transition band,which is manifested by cross peaks in 2D asynchronous spectra.     

车间空气中二甲基乙酰胺、丁酮和癸烷的气相色谱分析

采用Tenax吸附管吸附车间空气中的二甲基乙酰胺、丁酮和癸烷（十烷），经热解吸，样品在SE30大口径毛细管气相色谱柱上分离，外标法峰面积定量，系统分析了这三种挥发性有机化合物的含量。研究表明，这三种有机物经热解吸后的回归曲线的相关系数均在0．992以上，Tenax管吸附效率达90％以上，热解吸率达85％以上，样品的平均回收率为85％～110％。