摘要
用激光多光子电离TOF质谱和分子束技术实验研究了氨团簇，测量到（NH_3）_nH_2~＋（1≤n≤6）类型团簇离子，首次观测到n＜4的该类团簇离子的存在。用GAUSSIAN-94程序计算这种团簇离子的结构，找到一种稳定构型，并与文献报道的有关计算结果进行了比较和讨论．
The ammonia clusters were studied using the technologies of the laser MPI MS and the molecular beam, and cluster ions (NH_3)_2H)2+ (1≤n≤6) wer measured obvinously. The first evidence of existence of the cluster ions with n <4 experimeny was given. We calculated the sthectures of the cluster ions using GAUSIAN-94 package, and found stable structures for both ion NH_5^+ and (NH_3)_2H^+. We also compared our computational results with the related results repoted in the literatures , and pointed that the sturctrue we found is the only stable structures of this kind of cluster ions.
基金
国家自然科学基金
关键词
团簇
多光子电离
结构
从头算
氨团簇
Cluster
Ammonia
MPI
Proton transfer
ab initio calculation
