Theoretical perspective on the reaction mechanism from arylpentazenes to arylpentazoles: new insights into the enhancement of cyclo-n-5 production
文献类型：期刊论文
| 作者 | Ren, Guanghua1,2; Liu, Runze1,2; Zhou, Panwang3; Zhang, Chaoyang4; Liu, Jianyong1; Han, Keli1 |
| 刊名 | Chemical communications
 |
| 出版日期 | 2019-03-04 |
| 卷号 | 55期号:18页码:2628-2631 |
| ISSN号 | 1359-7345 |
| DOI | 10.1039/c8cc10024a |
| 通讯作者 | Zhou, panwang(pwzhou@sdu.edu.cn) ; Liu, jianyong() |
| 英文摘要 | A thorough theoretical exploration of the formation mechanism of arylpentazole (cyclo-n-5), the key precursor of cyclo-n-5(-), has been performed. three arylpentazene conformers were found as intermediates, and one is crucial for cyclo-n-5 production. by scrutinizing the complete reaction pathways and substituent effects, we propose a potential solution to the enhancement of cyclo-n-5 yield. |
| WOS关键词 | PENTAZOLATE ANION ; 1ST GENERATION ; N-DEARYLATION ; STABILITY ; CHEMISTRY ; TETRAZOLE |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Multidisciplinary |
| 语种 | 英语 |
| WOS记录号 | WOS:000459737100007 |
| 出版者 | ROYAL SOC CHEMISTRY |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2372755 |
| 专题 | 大连化学物理研究所 |
| 通讯作者 | Zhou, Panwang; Liu, Jianyong |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Shandong Univ, Inst Mol Sci & Engn, Qingdao 266235, Peoples R China 4.CAEP, Inst Chem Mat, Mianyang 621900, Sichuan, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ren, Guanghua,Liu, Runze,Zhou, Panwang,et al. Theoretical perspective on the reaction mechanism from arylpentazenes to arylpentazoles: new insights into the enhancement of cyclo-n-5 production[J]. Chemical communications,2019,55(18):2628-2631. |
| APA | Ren, Guanghua,Liu, Runze,Zhou, Panwang,Zhang, Chaoyang,Liu, Jianyong,&Han, Keli.(2019).Theoretical perspective on the reaction mechanism from arylpentazenes to arylpentazoles: new insights into the enhancement of cyclo-n-5 production.Chemical communications,55(18),2628-2631. |
| MLA | Ren, Guanghua,et al."Theoretical perspective on the reaction mechanism from arylpentazenes to arylpentazoles: new insights into the enhancement of cyclo-n-5 production".Chemical communications 55.18(2019):2628-2631. |
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来源：大连化学物理研究所
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