The diradical (CH3)(2)CHN and its isomeric molecule (CH3)(2)C = HN: Generation and characterization
文献类型：期刊论文
| 作者 | Sun, Z; Wang, D; Ding, R; Ge, M; Wang, DX; Chau, FT; Mok, DKW |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 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 |
| WOS记录号 | WOS:000183585400034 |
| 出版者 | AMER INST PHYSICS |
| 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. |
入库方式： OAI收割
来源：化学研究所
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