Chemical Research in Chinese Universities ›› 1994, Vol. 10 ›› Issue (2): 107-114.
• Articles • Previous Articles Next Articles
MA Yan-hui, LIN Meng-hai, ZHENG Lan-sun, LIU Hong-lin
Received:
Online:
Published:
Supported by:
Supported by the National Natural Science Houndation of China.
Abstract: According to the chemical bond theory we designed geometric structures ofcluster ions NbnSm± generated by laser ablation and calculated their electronic struc-tures using DV-Xa method of quantum chemistry.The results show that with theincrease of the cluster size the structures of the cluster ions change from a single-chain to a double-chain, then to a planar-net, and linking up to a net at Nb3.Thenegative cluster ions tend to form a divergent configuration due to the extra chargeson it.
Key words: Laser mass spectra, Cluster ions NbnSm±, Structure design, Quantumchemistry calculation
MA Yan-hui, LIN Meng-hai, ZHENG Lan-sun, LIU Hong-lin. Quantum Chemistry Study on Structures of ClusterIons NbnSm± Generated by Laser Mass Spectra[J]. Chemical Research in Chinese Universities, 1994, 10(2): 107-114.
0 / / Recommend
Add to citation manager EndNote|Reference Manager|ProCite|BibTeX|RefWorks
URL: https://crcu.jlu.edu.cn/EN/
https://crcu.jlu.edu.cn/EN/Y1994/V10/I2/107
