物理化学学报 >> 1992, Vol. 8 >> Issue (02): 226-231.doi: 10.3866/PKU.WHXB19920216

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CS2和O(3P)及N(4S)原子化学反应动力学

陈从香; 朱梦霞; 王利; 邹建宏   

  1. 中国科学技术大学近代化学系,合肥 230026
  • 收稿日期:1990-09-11 修回日期:1991-03-02 发布日期:1992-04-15
  • 通讯作者: 陈从香

The Kinetics for Reactions of CS2 with O(3P) and N(4S) Atoms

Chen Cong-Xiang; Zhu Meng-Xia; Wang Li; Zou Jian-Hong   

  1. Department of Modern Chemistry, University of Science and Technology of China, Hefei 230026
  • Received:1990-09-11 Revised:1991-03-02 Published:1992-04-15
  • Contact: Chen Cong-Xiang

关键词: 动力学, 氧原子, 氮原子, CS2分子

Abstract: In this work, we have measured the second-order rate constants of the reactions O(~3P)+CS_2 and N(~4S)+CS_2 over temperature range 293-500 K using discharge flow-chemiluminescence method. The results obtained are as follows: k_1=(8.44_(-0.61)~(+0.66))×10~(-11)exp ((-2.1±0. 1)×4.184 kJ·mol~(-1)/RT) cm~3·molec~(-1). s~(-1) (for O(~3P) + CS_2) and k_2=(3.09_(0.80)~(+1.08))×10~(-11) exp((-1.87±0.22)×4.184 kJ·mol~(-1)/RT)cm~3·molec~(-1)·s~(-1)(for N(~4S)+CS_2), respectively. The value of k_1 is in good agreement with literature results. With our best knowledge, no value of k_2 has been reported. In addition, we have calculated the structural parameters and energies of the intermediates NCS_2 and NSCS of the reaction N(~4S)+CS_2 by using approximate quantum chemistry theory. The minimum potential energy curves via reaction coordinates have also been calculated. A discussion of the reaction mechanism is presented.

Key words: Kinetics, Oxygen atom, Nitrogen atom, CS2 molecule