...
首页> 外文期刊>The Astrophysical journal >The Quest for a Plausible Formation Route of Formyl Cyanide in the Interstellar Medium: a State-of-the-art Quantum-chemical and Kinetic Approach
【24h】

The Quest for a Plausible Formation Route of Formyl Cyanide in the Interstellar Medium: a State-of-the-art Quantum-chemical and Kinetic Approach

机译:在星际介质中寻求氰基氰基的合理形成途径:一种最先进的量子化学和动力学方法

获取原文
           

摘要

Interstellar complex organic molecules are assumed to be mainly formed on dust–grain surfaces. However, neutral gas-phase reactions in the interstellar medium can play an important role. In this paper, by investigating the reaction between aldehydes and the cyano radical, we show that both formaldehyde (CH_(2)O) and acetaldehyde (CH_(3)CHO) can lead to the formation of formyl cyanide (HCOCN). Owing to accurate quantum-chemical computations followed by rate constant evaluations, we have been able to suggest and validate an effective mechanism for the formation of HCOCN, one of the molecules observed in the ISM. Quite interestingly, the mechanism starting from CH_(2)O is very effective at a low temperature, while that involving CH_(3)CHO becomes more efficient at temperatures above 200 K.
机译:假设星形术复合有机分子主要形成在灰尘粒面上。 然而,星际培养基中的中性气相反应可以起到重要作用。 本文通过研究醛与氰基之间的反应,我们表明甲醛(CH_(2)O)和乙醛(CH_(3)CHO)可导致氰化甲酰甲酰基(HCOCN)的形成。 由于精确的量子化学计算之后进行速率不断的评估,我们已经能够建议和验证形成HCOCN的有效机制,其中在ISM中观察到的一个分子。 非常有趣的是,从CH_(2)O开始的机制在低温下非常有效,而涉及CH_(3)CHO在200k以上的温度下变得更有效。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号