摘要
含硫化合物的氧化是大气化学中特别感兴趣的领域之一。研究较多的含硫化合物有SO_2、OCS和CS_2。其中O(~3P)+CS_2化学反应动力学研究在文献中已见过报导。通常认为O(~3P)和CS_2反应有三个反应通道:
In this work, we have measured the second-order rate constants of the reactionsO(~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. 184kJ·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. 184kJ·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. Withour best knowledge, no value of k_2 has been reported. In addition,we have calculatedthe structural parameters and energies of the intermediates NCS_2 and NSCS of thereaction N(~4S)+CS_2 by using approximate quantum chemistry theory. The minimumpotential energy curves via reaction coordinates have also been calculated. A discussionof the reaction mechanism is presented.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
1992年第2期226-231,共6页
Acta Physico-Chimica Sinica
基金
国家自然科学基金
关键词
CS2
氧原子
氮原子
动力学
Kinetics
Oxygen atom
Nitrogen atom
CS_2 molecule
