DIBENZOTHIOPHENES

作品数：10被引量：25H指数：2
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Quantitative Structure-chromatographic Retention Relationship for Polychlorinated Dibenzothiophenes and Their Corresponding Sulfones
《Chinese Journal of Structural Chemistry》2019年第11期1835-1844,共10页ZHU Jian-Qing WANG Wei XU Hui-Ying XU Xiao-Lu ZOU Jian-Wei 
supported by the Science and Technology Project of Zhejiang Province(2016C33039);the Public Technology Research Project(Analysis and Measurement)of Zhejiang Province(LGC19B070004);State Key Laboratory of Environmental Chemistry and Ecotoxicology,Research Center for Eco-Environmental Sciences,Chinese Academy of Sciences(KF2018-15);Natural Science Foundation of Zhejiang Province(LY18C030003)
Polychlorinated dibenzothiophenes（PCDTs）and their corresponding sulfone（PCDTO2）compounds are a group of important persistent organic pollutants.In the present study,geometrical optimization and subsequent calculat...
关键词：POLYCHLORINATED dibenzothiophene(PCDTs) polychlorodibenzothiophene sulfone(PCDTO2) molecular electrostatic potential(ESP) quantitative structure-retention relationship(QSRR) 
Theoretical study on the formation mechanism of polychlorinated dibenzothiophenes/thianthrenes from 2-chlorothiophenol molecules被引量：2
《Journal of Environmental Sciences》2018年第4期318-327,共10页Xiaoqing Yu Jiamin Chang Xian Liu Wenxiao Pan Aiqian Zhang 
supported by the National Natural Science Foundation (Nos. 21407167, 21621064, and 21607168);the Chinese Academy of Sciences (No. XDB14030500)
Homogeneous formation of polychlorinated dibenzothiophenes/thianthrenes（PCDT/TAs）,sulfurated compounds analogous to polychlorinated dibenzo-p-dioxin/dibenzofurans（PCDD/Fs）, has been well-documented to occur via ra...
关键词：Polychlorinated dibenzothiophenes/thianthrenes Formation mechanism Phenyl radicals Thiophenoxyl diradicals Density functional theory study 
Hybrid π-conjugated polymers from dibenzo pentacyclic centers：precursor design,electrosynthesis and electrochromics被引量：2
《Science China Chemistry》2017年第1期38-53,共16页Kaiwen Lin Shuai Chen Baoyang Lu Jingkun Xu 
the National Natural Science Foundationof China(51303073,51463008,51572117);the Ganpo Outstanding Talents 555 projects(2013);the National Science Fund for Distinguished Young Scholars in Jiangxi Province,Key Project of Jiangxi Educational Committee(GJJ150795);the Natural Science Foundation of Jiangxi Province(20161BAB216130);Scientific Fund of Jiangxi Science & Technology Normal University(2014QNBJRC003);Jiangxi Science & Technology Normal University Program for Scientific Research Innovation Team (2015CXTD001);Scientific Research Foundation for Doctors in Jiangxi Science & Technology
π-Conjugated polymers(CPs)represent one of the quite important and rapidly growing branches of flexible electrochromic materials.Electrosynthesized hybrid CPs employing dibenzo pentacycles(fluorenes,carbazoles,dibenz...
关键词：FLUORENES CARBAZOLES DIBENZOTHIOPHENES DIBENZOFURAN polymer synthesis electrochemistry electrochromism 
HDS of dibenzothiophenes and hydrogenation of tetralin over a SiO2 supported Ni-Mo-S catalyst被引量：1
《Frontiers of Chemical Science and Engineering》2015年第3期336-348,共13页Qiang Wei Jinwen Chen Chaojie Song Guangchun Li 
A one-step synthesized Ni-Mo-S catalyst supported on SiO2 was prepared and used for hydrodesulphurization （HDS） of dibenzothiophene （DBT）, and 4,6-dimethyl-dibenzothiophene （4,6-DMDBT）, and for hydrogenation of ...
关键词：hydrodesulphurization （HDS） HYDROGENATION dibenzothiophene （DBT） 4 6-dimethyldibenzothiophene （4 6-DMDBT） TETRALIN 
Oil maturity assessment using maturity indicators based on methylated dibenzothiophenes被引量：15
《Petroleum Science》2014年第2期234-246,共13页Li Meijun Wang T.-G Shi Shengbao Zhu Lei Fang Ronghui 
funded by the National Natural Science Foundation of China (Grant No. 41272158);the State Key Laboratory of Petroleum Resources and Prospecting (PRP/indep-2-1302)
Aromatic fractions of 140 oils and condensates that originated from different types of source rocks （marine shale,terrestrial shale and marine carbonate） were analyzed using gas chromatographymass spectrometry （GC...
关键词：DIBENZOTHIOPHENE maturity indicator molecular thermodynamic stability sedimentaryorganic matter 
A comparison of the distributions of carbazoles and dibenzothiophenes in western Qaidam Basin, Northwest China
《Chinese Journal Of Geochemistry》2014年第2期194-200,共7页GUAN Mingming ZHANG Chunming 
financially supported by the National Natural Science Foundation of China(Nos.40772091 and 41172136)
Variations in the distributions of carbazoles and dibenzothiophenes were investigated in a set of source rocks, which differ mainly in their maturity levels during immature-mature stages. A comparison of the distribut...
关键词：二苯并噻吩 中国西北地区 柴达木盆地 咔唑 西部地区 成熟度参数 比值范围 线性相关性 
Prediction of Gas Chromatographic Retention Indices of Organophosphates by DFT and VSMP Method
《Chinese Journal of Structural Chemistry》2012年第5期704-712,共9页刘红艳 莫凌云 李艳红 易忠胜 
Sponsored by the NSF of Guangxi Province (No. 2011XNSFA018059);Guangxi Key Laboratory Research Fund of Environmental Engineering and Protection Assessment (No. 0801Z026);Major Science of Water Pollution Control and Management (No. 2008ZX07317-02);the Guangxi Zhuang Autonomous Region Department of Education Research (No. 201010LX174) Funding
Polychlorinated dibenzothiophenes（PCDTs） are a group of important persistent organic pollutants.In the present study,geometrical optimization and electrostatic potential calculations have been performed for all 135 ...
关键词：polychlorinated dibenzothiophenes（PCDTs） retention indices（RI） density functional theory（DFT） variable selection and modeling based on prediction（VSMP） quantitative structure-retention relationship（QSRR） 
Quantitative Structure-retention Relationship Study of Polychlorinated Dibenzothiophenes by Molecular Electronegativity Distance Vector(MEDV)
《Chinese Journal of Structural Chemistry》2012年第3期429-437,共9页李美萍 张生万 陈婷 
supported by the Foundation of Returned Scholars (Main Program) of Shanxi Province (200902)
Polychlorinated dibenzothiophenes（PCDTs） are classified as persistent organic pollutants in the environment,so the analysis of PCDTs by their gas chromatographic behaviors is of great significance.Quantitative struc...
关键词：molecular electronegativity distance vector（MEDV） polychlorinated dibenzothio-phenes（PCDTs） quantitative structure-retention relationship（QSRR） retention indices（RI） 
The effects of biodegradation on the compositions of aromatic hydrocarbons and maturity indicators in biodegraded oils from Liaohe Basin被引量：3
《Science China Earth Sciences》2009年第S1期59-68,共10页BAO JianPing & ZHU CuiShan Key Laboratory of Oil & Gas Resource and Exploration Technology,Ministry of Education Geochemistry Department,Yangtze University,Jingzhou 434023,China 
Supported by Key Technologies R & D Programme (Grant No. 2004BA616A02-04-02-01)
By the aid of GC-MS technique,a series of sequentially biodegraded oils from Liaohe Basin have been analyzed. The results show that the concentrations and relative compositions of various aromatic compounds in the bio...
关键词：biodegraded oils ALKYL PHENANTHRENES ALKYL DIBENZOTHIOPHENES AROMATIC MATURITY indicator Liaohe Basin 
Thermodynamic Properties for Polybrominated Dibenzothiophenes by Density Functional Theory被引量：2
《Chinese Journal of Chemical Engineering》2009年第6期999-1008,共10页李加友 柳红霞 于红霞 王遵尧 王连生 
Supported by the National Natural Science Foundation of China （20737001）.
The thermodynamic properties of 135 polybrominated dibenzothiophenes （PBDTs） in the gaseous state at 298.15 K and 1.013×10^5 Pa, are calculated using the density functional theory （the B3LYP/6-311G^＊＊） with Ga...
关键词：polybrominated dibenzothiophenes density functional theory method of position of substituted Br atom thermodynamic parameters relative stability 
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