The diradical (CH3)(2)CHN and its isomeric molecule (CH3)(2)C = HN: Generation and characterization

doi:10.1063/1.1577316

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	The diradical (CH3)(2)CHN and its isomeric molecule (CH3)(2)C = HN: Generation and characterization
	Sun, Z ; Wang, D ; Ding, R ; Ge, M ; Wang, DX ; Chau, FT ; Mok, DKW
刊名	JOURNAL OF CHEMICAL PHYSICS
	2003-07-01
卷号	119 期号:1 页码:293-299
ISSN号	0021-9606
DOI	10.1063/1.1577316
英文摘要	A continuously flowing (CH3)(2)CHN beam is generated by pyrolysis of (CH3)(2)CHN3 at 113(+/-0.5)degreesC using normal inlet system with an 8 mm bore of the exit of the quartz tube under the presence of molecular sieve (30 Angstrom) and stabilizing NO gas, and its HeI photoelectron (PE) spectrum is also recorded in situ. A spectrum recorded further away from the pyrolysis catalyst or by using a 0.4 mm bore of the quartz tube is the PE spectrum of (CH3)(2)C=NH, which comes from the isomerization of (CH3)(2)CHN. The ionization energies of (CH3)(2)CHN and (CH3)(2)C=NH are determined for the first time by the photoelectron spectroscopy experiment, and Gaussian 2 and improved density functional theory calculations. Experimental and theoretical results agree reasonably well, and show that (CH3)(2)CHN is a diradical with C-s symmetry and has a (3)A" ground state, and (CH3)(2)C=NH is a closed shell molecule with C-s symmetry. (C) 2003 American Institute of Physics.
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000183585400034
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/81061]
专题	中国科学院化学研究所
通讯作者	Sun, Z
作者单位	1.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Beijing 100080, Peoples R China 2.Hong Kong Polytech Univ, Dept Appl Biol & Chem Technol, Kowlong, Hong Kong, Peoples R China
推荐引用方式 GB/T 7714	Sun, Z,Wang, D,Ding, R,et al. The diradical (CH3)(2)CHN and its isomeric molecule (CH3)(2)C = HN: Generation and characterization[J]. JOURNAL OF CHEMICAL PHYSICS,2003,119(1):293-299.
APA	Sun, Z.,Wang, D.,Ding, R.,Ge, M.,Wang, DX.,...&Mok, DKW.(2003).The diradical (CH3)(2)CHN and its isomeric molecule (CH3)(2)C = HN: Generation and characterization.JOURNAL OF CHEMICAL PHYSICS,119(1),293-299.
MLA	Sun, Z,et al."The diradical (CH3)(2)CHN and its isomeric molecule (CH3)(2)C = HN: Generation and characterization".JOURNAL OF CHEMICAL PHYSICS 119.1(2003):293-299.