CO(υ)高振动激发态向C_2H_2的振动传能研究  

Vibrational Energy Transfer from Highly Excited State CO to C_2H_2

作　　者：王宝山[1] 郭敬忠[1] 顾月姝[1] 毛文涛[2] 孔繁敖[2] 

机构地区：[1]山东大学化学系,济南250100 [2]中国科学院化学研究所分子反应动力学国家重点实验室,北京100080

出　　处：《物理化学学报》1998年第4期327-331,共5页Acta Physico-Chimica Sinica

基　　金：国家自然科学基金

摘　　要：用时间分辨窝里叶红外发射谱研究了高振动激发态CO向C2H2的传能，得到了CO（v＝1－3）各振动态布展及其随时间的变化,利用微分法解出弛豫微分方程组，获得CO（v=1-3）向C2H2的传能速率常数分别为：2．0±0．1，6.0±0．2和9．1±0.8（10-13cm3·molecule-1·s-1）．传能速率随着振动量子数的增加而迅速增加．CO的振动能应向C2H2的对称伸缩模v2近共振V－V传递．传能过程中还可能形成二聚体络合物，加速了CO（v）向C2H2的传能．用abinitio方法确定了CO...C2H2两种可能的直线构型．The energy transfer process of highly vibrational states of CO with C2H2 has beenstudied by the Time -resolved Fourier Transform Infrared Emission Spectroscopy. The vibrationalpopulation of CO(v=1-3)were obtained by the simulations of the IR emission spectra.Differ-entiation method was used to calculate the quenching rate constants of CO(v=1-3)which are:2.0±0.1，6.0±0.2and 9.4±0.8(10-13cm3.molecule-1.s-1),respectively.The most possible energytransfer channel is the transfer of CO(v)to C2H2(v2).Dimer complexes may be formed in the collisional process. The equilibrium structures and lifetime of the complexes were estimated by abinitio computation and V-V/R theory.

关 键 词：高振动激发态 V-V传能 一氧化碳 乙炔 传能 

分 类 号：O613.71[理学—无机化学] O623.124[理学—化学]