Phase transition and chemical reactivity of 1H-tetrazole under high pressure up to 100 GPa
文献类型：期刊论文
| 作者 | BSRF用户 |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2021 |
| 卷号 | 23期号:35页码:19503--19510 |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/d1cp02913d |
| 文献子类 | Article |
| 英文摘要 | The pressure-induced phase transition and polymerization of nitrogen-rich molecules are widely focused on due to their extreme importance for the development of green high-energy-density materials. Here, we present a study of the phase-transition behaviour and chemical reaction of 1H-tetrazole up to 100 GPa using in situ Raman, IR, X-ray diffraction, neutron diffraction techniques and theoretical calculations. A phase transition above 2.6 GPa was identified and the high-pressure structure was determined with one molecule in a unit cell instead of two molecules as reported before. The 1H-tetrazole polymerized reversibly below 100 GPa, probably through carbon-nitrogen bonding instead of nitrogen-nitrogen bonding. Our studies update the structure model of the high-pressure phase of 1H-tetrazole, and present the possible intermolecular bonding route for the first time, which gives new insights to understand the phase transition and chemical reaction of nitrogen-rich compounds, and is of benefit for designing new high-energy-density materials. |
| 电子版国际标准刊号 | 1463-9084 |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000688182800001 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/293337]  |
| 专题 | 北京同步辐射装置 |
| 推荐引用方式 GB/T 7714 | BSRF用户. Phase transition and chemical reactivity of 1H-tetrazole under high pressure up to 100 GPa[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2021,23(35):19503--19510. |
| APA | BSRF用户.(2021).Phase transition and chemical reactivity of 1H-tetrazole under high pressure up to 100 GPa.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,23(35),19503--19510. |
| MLA | BSRF用户."Phase transition and chemical reactivity of 1H-tetrazole under high pressure up to 100 GPa".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23.35(2021):19503--19510. |
入库方式： OAI收割
来源：高能物理研究所
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