Citation: Xu-Guang HU, Yu-Min CAI, Qian-Shu LI. Ab Initio Theoretical Prediction on Structures of Boron Cationic Cluster B₁₇⁺[J]. Chinese Chemical Letters, ;1997, 8(8): 737-740. shu

Ab Initio Theoretical Prediction on Structures of Boron Cationic Cluster B₁₇⁺

a Institute of Theoretical Chemistry, National Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023;
b Department of Chemical Engineering, Xi'an Petroleum Institute, Xi'an, 710061;
c College of Chemical Engineering and Materia Science, Beijing Institute of Technology, Beijing 100081

Received Date: 3 February 1997

Four isomers of the three-dimensionally connected bare boron cationic cluster B₁₇⁺ were investigated by using ab initio molecular orbital theory at the HF/6-31G level.The results show that the D_5h symmetric isomer of B₁₇⁺ is a possible isomer candidate of its stable geometries with closed structure.
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