Electronic Structure and Conformation Properties of Halogen -Substituted Acetyl Acrylic Anhydrides, CX3C(O)OC(O)CH=CH2 (X = H, F, or Cl)
文献类型：期刊论文
| 作者 | Wang XiaoPeng; Tong ShengRui; Wang WeiGang; Ge MaoFa; Wang DianXun |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2012-01-12 |
| 卷号 | 116期号:1页码:560-570 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/jp207897m |
| 英文摘要 | Acetyl acrylic anhydride (CH3C(O)OC(O)CHCH2) and its halogen-substituted derivatives (CF3C(O)OC(O)CHCH2 and CCl3C(O)OC(O)CHCH2) were prepared by the heterogeneous reaction of gaseous CH2=CHC(O)Cl with CX3C(O)OAg (X = H, F, or Cl). The molecular conformations and electronic structure of these three compounds were investigated by HeI photoelectron spectroscopy, photoionization mass spectroscopy, FT-IR, and theoretical calculations. They were theoretically predicted to prefer the [ss-c] conformation, with each,C=O bond syn with respect to the opposite O-C bond and the C=C bond in cis orientation to the adjacent C=O bond. The experimental first vertical ionization potential for CH3C(O)OC(O)CHCH2, CF3C(O)OC(O)CHCH2, and CCl3C(O)OC(O)CHCH2 was determined to be 10.91, 11.42, and 11.07 eV, respectively. In this study, the rule of the conformation properties of anhydride XC(O)OC(O)Y was improved by analyzing the different conformations of anhydrides with various substitutes. |
| 语种 | 英语 |
| WOS记录号 | WOS:000298978000062 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/49133]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Tong ShengRui |
| 作者单位 | Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, BNLMS, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang XiaoPeng,Tong ShengRui,Wang WeiGang,et al. Electronic Structure and Conformation Properties of Halogen -Substituted Acetyl Acrylic Anhydrides, CX3C(O)OC(O)CH=CH2 (X = H, F, or Cl)[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2012,116(1):560-570. |
| APA | Wang XiaoPeng,Tong ShengRui,Wang WeiGang,Ge MaoFa,&Wang DianXun.(2012).Electronic Structure and Conformation Properties of Halogen -Substituted Acetyl Acrylic Anhydrides, CX3C(O)OC(O)CH=CH2 (X = H, F, or Cl).JOURNAL OF PHYSICAL CHEMISTRY A,116(1),560-570. |
| MLA | Wang XiaoPeng,et al."Electronic Structure and Conformation Properties of Halogen -Substituted Acetyl Acrylic Anhydrides, CX3C(O)OC(O)CH=CH2 (X = H, F, or Cl)".JOURNAL OF PHYSICAL CHEMISTRY A 116.1(2012):560-570. |
入库方式： OAI收割
来源：化学研究所
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