直链构型的C_n~±和C_nH^-稳定性的实验与理论研究  

Experimental and Theoretical Studies of Stabilities of C_n~± and C_nH^- in Linear Configuration

作　　者：苏剑瑞 黄荣彬[1] 李文莹[1] 郑兰荪[1] 

机构地区：[1]厦门大学化学系,厦门361005

出　　处：《Chinese Journal of Chemical Physics》1992年第6期430-435,共6页化学物理学报（英文）

基　　金：霍英东教育基金

摘　　要：本文介绍了对C_n与C_nH(n<10)结构稳定性的研究,研究发现:C_n~±取直链构型比平面环状构型稳定;C_n^-均比C_n^+稳定;C_(2m)H^-比C_(2m+1)H^-稳定(m=1,2,3),这些研究结果首先得自对石墨与稠环芳香烃激光等离子体质谱的分析,然后又以Gaussian 80程序,通过量化计算而得到证实。C_n~± and C_nH_m^- were generated on a self-built laser plasma source time-of-flight mass spectrometer with laser vaporization of graphite and chrycene. Their mass spectra were analyzed and related to their structures. To verify the suggestions of the structures based on analysis of the exprimental data, theoretical calculations were carried on in ab initio method with program of Gaussion 80. Both experimental and theoretical studies show the same results that cluster ions containing less than 10 carbon atoms arc more stable in linear configuration than in cyclic configuration; carbon cluster anions in linear configuration are more stable than their cations;C_(2m)H^- are more stable than C_(2m+1)H^- (m=1,2,3).

关 键 词：直链构型 碳原子簇离子 稳定性 

分 类 号：O613.71[理学—无机化学]