The isonitrile-nitrile isomerization: Kinetic parameters, reaction mechanism and relative photoionization cross-section of the HOMO. A HeI photoelectron spectroscopy study

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	The isonitrile-nitrile isomerization: Kinetic parameters, reaction mechanism and relative photoionization cross-section of the HOMO. A HeI photoelectron spectroscopy study
	Wang, DX; Qian, XM; Zhang, QY
刊名	CHEMICAL PHYSICS LETTERS
	1997-03-07
卷号	266 期号:5-6 页码:560-567
ISSN号	0009-2614
英文摘要	The isomerisation reactions from CH3CH2CH2NC to CH3CH2CH2CN, (CH3)(2)CHNC to (CH3)(2)CHCN and (CH3)(3)CNC to (CH3)(3)CCN are found to be of first order by using HeI photoelectron spectroscopy (PES). The activation energies obtained by PES for the isomerisation of RNC, where R is -CH3, -CH2CH3, -CH2CH2CH3, -CH(CH3)(2), and -C(CH3)(3) are similar. This can be explained by the breaking of the R-N bond and the making of the R-C bond in the isomerisation reaction from RNC to RCN being essentially synchronous. A transition state is proposed. The photoionization cross-sections of the HOMO for the RNC are deduced from the intercept values in the kinetic equations obtained using PES, and related to the weight of the carbon atom in the isocyano group, because the HOMOs of the RNC mainly embody the 2s lone-pair electron of the carbon atom in the isocyano group.
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:A1997WL83600026
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/44677]
专题	中国科学院化学研究所
通讯作者	Wang, DX
推荐引用方式 GB/T 7714	Wang, DX,Qian, XM,Zhang, QY. The isonitrile-nitrile isomerization: Kinetic parameters, reaction mechanism and relative photoionization cross-section of the HOMO. A HeI photoelectron spectroscopy study[J]. CHEMICAL PHYSICS LETTERS,1997,266(5-6):560-567.
APA	Wang, DX,Qian, XM,&Zhang, QY.(1997).The isonitrile-nitrile isomerization: Kinetic parameters, reaction mechanism and relative photoionization cross-section of the HOMO. A HeI photoelectron spectroscopy study.CHEMICAL PHYSICS LETTERS,266(5-6),560-567.
MLA	Wang, DX,et al."The isonitrile-nitrile isomerization: Kinetic parameters, reaction mechanism and relative photoionization cross-section of the HOMO. A HeI photoelectron spectroscopy study".CHEMICAL PHYSICS LETTERS 266.5-6(1997):560-567.