激光烧蚀Al等离子体与甲醇团簇反应中(CH_3OH)_nCH_3O^-的形成(英文)  

Mass spectrometric study of(CH_3OH)_nCH_3O^-(n=3～23) cluster ions formation in laser ablation aluminum plasma reacting with methanol clusters

作　　者：朱湘君[1] 张树东[1] 王艳[1] 孔祥和[1] 

机构地区：[1]曲阜师范大学物理工程学院,曲阜273165

出　　处：《原子与分子物理学报》2008年第3期691-694,共4页Journal of Atomic and Molecular Physics

基　　金：曲阜师范大学博士启动基金

摘　　要：激光烧蚀-分子束(LA-MB)法是研究金属离子与分子团簇反应的有效方法.在气相条件下,用飞行时间质谱观测到激光烧蚀Al等离子体与脉冲分子束超声膨胀产生的甲醇团簇碰撞反应生成的(CH3OH)nCH3O-(n=3~23)团簇负离子.实验发现,此序列的团簇负离子主要生成于烧蚀激光作用于脉冲分子束的后段,(CH3OH)3CH3O-离子强度始终远远大于其后的离子,并且这些离子随尺寸大小的分布变化平缓.结合量化计算,在B3LYP/6-31G(d)水平上得到(CH3OH)nCH3O-(n=1~4)的可能几何构形,并推断(CH3OH)3CH3Oˉ为一幻数结构.Laser ablation-molecular beam （LA-MB） is a useful method to study metal ion reacting with molecular clusters. Negative cluster ions, （CH3OH）nCH3O^-（ n = 3-23）, were observed in laser ablation aluminum plasma reacting with methanol clusters in gas phase using a time-of-flight mass spectrometer. Experimental results revealed that these negative cluster ions were mainly formed when the ablating laser acted on the back part of the pulsed molecular beam in temporal dimension, and the intensity of （CH3OH）3CH3O^- ions was much stronger than the other cluster ions. Using ab initio calculations at the B3LYP/6-31G（d） level, we obtained the possible geometric structures of （（CH3OH）nCH3O^- （n = 0-4）, and concluded that the （CH3OH）3CH3O^-is a magic structure.

关 键 词：(CH3OH)nCH3O^- 激光烧蚀-分子束 形成机理 ab initio计算 

分 类 号：O621[理学—有机化学]