N(~4S)与CS_2化学反应动力学研究

The Chemical Kinetic Study of Reaction N (~4S) and CS_2

本文报道我们采用流动微波放皂——化学发光技术对N(~4S)—CS_2体系化学反应速率常数的测定结果:k=(3.09_(-0.80)^(+1.08)×10^(-11)exp[(-1.87±0.22)/RT]cm^3·molecu^(-1)·S^(-1)利用修正的半经验Hartra—Fock—Rothaan方程的MNDO程序计算出反应的二个过渡态的结构及反应路径.

The measurement of rate constant of reaction N (4S) +CS2 with discharge flow-chemiluminescence technique is presented. The Arrhenius from the rate constant over temperature range 293-503K is k = (3.09-0.80+1.08) ×10-11exp [ ( -1.87±0.22 ) /RT] cm3 .molecu-1 .s.-1 The calculation of the reaction paths, from Hartra-Fock-Rothaan equation, are also presented.