Photoelectron spectroscopy of terpenoids and prediction of their rate constants in atmospheric oxidation reactions
文献类型：期刊论文
| 作者 | Wang XiaoPeng; Tong ShengRui; Ge MaoFa; Wang WeiGang; Wang DianXun |
| 刊名 | CHINESE SCIENCE BULLETIN
 |
| 出版日期 | 2010-12-01 |
| 卷号 | 55期号:35页码:4018-4025 |
| 关键词 | Photoelectron Spectroscopy Ionization Potential Outer-valence Green's Function (Ovgf) Rate Constant |
| ISSN号 | 1001-6538 |
| DOI | 10.1007/s11434-010-4154-8 |
| 英文摘要 | The electronic structures of six mono-terpenoids and two of their oxygenated derivatives were studied by He I photoelectron spectroscopy (PES). The observed bands were interpreted on the basis of empirical arguments and theoretical calculations. The first vertical ionization potentials for beta-pinene, alpha-terpinene, terpinolene, gamma-terpinene, limonene, myrcene, citral, and terpinene-4-ol were determined to be 8.73, 7.57, 8.26, 8.30, 8.53, 8.68, 8.71, and 8.77 eV, respectively. Most of these values have not been determined by PES before. The correlations of the first vertical ionization potentials of these compounds to the natural logarithms of rate constants for their reactions with the radicals OH, NO(3), and O(3) were determined. The correlation coefficients for their reactions with OH, NO(3), and O(3) were 0.97, 0.91, and 0.95, respectively. This method is a powerful technique for predicting the rate constants for the atmospheric oxidation reactions of terpenoids. |
| 语种 | 英语 |
| WOS记录号 | WOS:000285196000007 |
| 出版者 | SCIENCE CHINA PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/70507]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Ge MaoFa |
| 作者单位 | Chinese Acad Sci, Inst Chem, BNLMS, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang XiaoPeng,Tong ShengRui,Ge MaoFa,et al. Photoelectron spectroscopy of terpenoids and prediction of their rate constants in atmospheric oxidation reactions[J]. CHINESE SCIENCE BULLETIN,2010,55(35):4018-4025. |
| APA | Wang XiaoPeng,Tong ShengRui,Ge MaoFa,Wang WeiGang,&Wang DianXun.(2010).Photoelectron spectroscopy of terpenoids and prediction of their rate constants in atmospheric oxidation reactions.CHINESE SCIENCE BULLETIN,55(35),4018-4025. |
| MLA | Wang XiaoPeng,et al."Photoelectron spectroscopy of terpenoids and prediction of their rate constants in atmospheric oxidation reactions".CHINESE SCIENCE BULLETIN 55.35(2010):4018-4025. |
入库方式： OAI收割
来源：化学研究所
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