C2N+的结构异构体:一种选择性离子流管研究
J S Knight1, S A Petrie, C G Freeman
1Department of Chemistry, University of Canterbury, Christchurch, New Zealand.
Journal of the American Chemical Society
|January 1, 1988
概括
这项研究研究了CCN+和CNC+异构体的反应性,发现由于其高反应性,更具反应性的CCN+异构体不太可能存在于星际云中.
科学领域:
- 物理化学 物理化学
- 天体化学是天体化学.
- 计算化学计算化学
背景情况:
- 了解小型碳-离子的反应性对于建模星际化学是至关重要的.
- 像CCN+和CNC+这样的结构异构体可以具有不同的化学特性和形成途径.
研究的目的:
- 通过实验确定CCN+和CNC+异构体的反应性.
- 研究CNC+的形成路径.
- 通过计算评估CCN+和CNC+的稳定性和相互转换.
主要方法:
- 选择性离子流管 (SIFT) 实验在300K进行,以测量速率系数和分支比率.
- 研究了C+与HCN和C2N2的反应,以确定产品同位素.
- 进行了初始计算,以确定CCN+和CNC+之间异构化的能量屏障.
主要成果:
- 由于能量限制,鉴定出较少反应的CNC+异构体是与HCN和C2N2发生C+反应的唯一产物.
- 报告了两种异构体与各种分子 (H2,CH4,NH3,H2O,C2H2,HCN,N2,O2,N2O,CO2) 的反应的速率系数和分支比.
- 一个高能量屏障 (195 kJ mol-1) 被计算为CCN+到CNC+的异构化,表明不同的化学特征.
结论:
- CCN+异构体的高反应性表明,它不太可能在星际云中大量存在.
- 在星际条件下,CNC+是C+与HCN和C2N2在星际条件下的反应中形成的支配性异构体.
- 独特的反应性和形成途径支持在天体化学模型中单独考虑这些同位素.
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