CAS OpenIR  > 中科院上海应用物理研究所2004-2010年
Experimental and theoretical study of Kr and Kr-2
Kong Rui-Hong; Shan Xiao-Bin; Wang Si-Sheng(王思胜); Zhang Yun-Wu; Liu Fu-Yi; Sheng Liu-Si; Hao Li-Qing; Wang Zhen-Ya
2008
Source PublicationACTA CHIMICA SINICA
ISSN0567-7351
Volume66Issue:13Pages:1508
AbstractThe photoionization mass spectroscopy (PIMS) and photoionization efficiency spectroscopy (PIES) of Kr and Kr-2 have been obtained using a supersonic molecule beam, synchrotron radiation and reflection time of flight mass spectrum. The ionization energies of Kr and Kr-2 were determined from their PIES. The geometries, harmonically vibrational frequencies, and ionization energies of Kr-2 have also been calculated using MP2(Full)/6-31G*, QCISD/cc-pVTZ and B3LYP/6-31G. When the same level of theory was used, the structure and ionization energy were nearly unchanged, and the vibrational frequency was decreased gradually with increasing m/z of Kr isotope. At the same time, the ionization energies of Kr (84) and Kr-2 (168) were calculated using a G2 method. The theoretical values of the ionization energy are in agreement with those experimental ones.
Indexed BySCI
Language英语
Funding Project应物所项目组
WOS IDWOS:000258051000002
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/13014
Collection中科院上海应用物理研究所2004-2010年
Recommended Citation
GB/T 7714
Kong Rui-Hong,Shan Xiao-Bin,Wang Si-Sheng,et al. Experimental and theoretical study of Kr and Kr-2[J]. ACTA CHIMICA SINICA,2008,66(13):1508.
APA Kong Rui-Hong.,Shan Xiao-Bin.,Wang Si-Sheng.,Zhang Yun-Wu.,Liu Fu-Yi.,...&Wang Zhen-Ya.(2008).Experimental and theoretical study of Kr and Kr-2.ACTA CHIMICA SINICA,66(13),1508.
MLA Kong Rui-Hong,et al."Experimental and theoretical study of Kr and Kr-2".ACTA CHIMICA SINICA 66.13(2008):1508.
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