2-Chloroethylisocyanate. Thermal Decomposition and Spectroscopic Properties
文献类型：期刊论文
| 作者 | Martinez Cordoba, Gustavo A.2; Ramos, Luis A.1; Ulic, Sonia E.1,3; Jios, Jorge L.2; DellaVedova, Carlos O.1,2; Pepino, Julieta4; Burgos Paci, Maxi A.4; Argueello, Gustavo A.4; Ge, Maofa5; Beckers, Helmut6 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2011-08-11 |
| 卷号 | 115期号:31页码:8608-8615 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/jp2036197 |
| 英文摘要 | 2-Chloroethylisocyanate has been studied in a thorough way. NMR, Raman, FTIR, and Ar-matrix vibrational spectra of the molecule are presented and discussed with the complement of ab initio and DFT methods. The spectroscopic results reveal the existence of anti and gauche conformers that are equally populated in the gas phase. Thermal decomposition between 393 and 648 K shows two different pathways depending on the temperature, which can be interpreted in terms of simple second-and first-order mechanisms, respectively. Quantum mechanical calculations reproduce the experimental results. |
| 语种 | 英语 |
| WOS记录号 | WOS:000293419900004 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/72441]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Ulic, Sonia E. |
| 作者单位 | 1.Univ Nacl La Plata, Fac Ciencias Exactas, CEQUINOR CONICET UNLP, RA-1900 La Plata, Buenos Aires, Argentina 2.Univ Nacl La Plata, Fac Ciencias Exactas, Dept Quim, LaSeISiC UNLP CIC CONICET, RA-1900 La Plata, Buenos Aires, Argentina 3.Univ Nacl Lujan, Dept Ciencias Basicas, RA-6700 Buenos Aires, DF, Argentina 4.Univ Nacl Cordoba, Fac Ciencias Quim, INFIQC, Dept Quim Fis, RA-5000 Cordoba, Argentina 5.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China 6.Berg Univ Wuppertal, Fachbereich C, D-47097 Wuppertal, Germany |
| 推荐引用方式 GB/T 7714 | Martinez Cordoba, Gustavo A.,Ramos, Luis A.,Ulic, Sonia E.,et al. 2-Chloroethylisocyanate. Thermal Decomposition and Spectroscopic Properties[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2011,115(31):8608-8615. |
| APA | Martinez Cordoba, Gustavo A..,Ramos, Luis A..,Ulic, Sonia E..,Jios, Jorge L..,DellaVedova, Carlos O..,...&Willner, Helge.(2011).2-Chloroethylisocyanate. Thermal Decomposition and Spectroscopic Properties.JOURNAL OF PHYSICAL CHEMISTRY A,115(31),8608-8615. |
| MLA | Martinez Cordoba, Gustavo A.,et al."2-Chloroethylisocyanate. Thermal Decomposition and Spectroscopic Properties".JOURNAL OF PHYSICAL CHEMISTRY A 115.31(2011):8608-8615. |
入库方式： OAI收割
来源：化学研究所
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