标题:Silylene reaction with acetylene: Elucidating the mechanism by theoretical identification of a new intermediate
作者:Bei, Y.;Liu, Q.
作者机构:[Bei, Y] Key Laboratory of Special Functional Aggregated Materials, Ministry of Education, Shandong University, Jinan, 250100, China;[ Liu, Q] Key Lab 更多
通讯作者:Bei, Y
通讯作者地址:[Bei, YL]Shandong Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Special Funct Aggregated Mat, Jinan 250100, Peoples R China.
来源:Progress in reaction kinetics and mechanism
出版年:2011
卷:36
期:4
页码:323-328
DOI:10.3184/146867811X13079836469958
关键词:Acetylene;DFT method;Reactive intermediate;Silylene
摘要:The reaction of silylene with acetylene was observed by the density function theory (DFT) method at the 6-311 g (d,p) level. A new reaction pathway has been identified involving the tetra-conjugated:SiH _2CH=CHH _2Si:. Thermodynamic and kinetic analysis confirms the reaction to be spontaneous at room temperature. The new intermediate proposed in this work offers a resolution of the conundrum of the silylene/acetylene reaction.
收录类别:EI;SCOPUS;SCIE
资源类型:期刊论文
原文链接:https://www.scopus.com/inward/record.uri?eid=2-s2.0-84055193938&doi=10.3184%2f146867811X13079836469958&partnerID=40&md5=b7563863b959a94971731a62d6079603
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