H_n^+团簇形成的氏理论与结构计算

THE GOU′S THEORY FOR THE FORMATION OF H + n AND THE CALCULATION OF THE CENTRAL STRUCTURES OF H + n CLUSTERS

对于Ｈ＋ｎ的形成，艹勾清泉教授指出，可先以Ｈ＋离子为中心，瞬时地分别与周围（ｎ－１）个Ｈ原子相互作用，形成中心氢核同周围氢核间的（ｎ－１）个瞬时单电子键，这些单电子键围绕中心转动共振，从而使Ｈ＋吸引周围（ｎ－１）个Ｈ原子形成Ｈ＋ｎ团簇。对采用此模型计算的Ｈ＋ｎ（ｎ＝５，７，９，１３）的正多面体中心结构结果，作了规律性的总结。

For the formation of H + n clusters, Gou Qingquan proposed that with H + at the center, it may instantaneously interact with (n-1) H atoms around respectively, by forming the (n-1) single electron bonds which resonate around center, the H + n clusters may be formed. The results of calculations of energies for the central structures of H + n (n=5,7,9,13) clusters have been analysed and discussed.