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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
2003-07-01
Source PublicationJOURNAL OF CHEMICAL PHYSICS
ISSN0021-9606
Volume119Issue:1Pages:293-299
AbstractA 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.
DOI10.1063/1.1577316
Indexed BySCI
Language英语
WOS IDWOS:000183585400034
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/81062
Collection中国科学院化学研究所
Corresponding AuthorSun, Z
Affiliation1.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
Recommended Citation
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.
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