Acta Phys. -Chim. Sin. ›› 2009, Vol. 25 ›› Issue (10): 2137-2142.doi: 10.3866/PKU.WHXB20091042

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s1p1 Configurational Energy Levels in Different Hosts

SUN Qiang, SHI Jin-Sheng   

  1. Institute of Chemistry and Pharmacy, Qingdao Agricultural University, Qingdao 266109, Shandong Province, P. R. China
  • Received:2009-05-13 Revised:2009-06-15 Published:2009-09-29
  • Contact: SHI Jin-Sheng


The relationship between the energy level position, energy splitting of the s1p1 configuration of selected cations and a host was studied. Results indicated that the position of the A, B, and C bands of Sn2+ and the A and B bands of In+ and Tl+ decreased linearly with an increase in the environment factor (he) of the host. A corresponding empirical formula was determined. Calculated values for the A and B bands of the free-ions In+ and Tl+ were in good agreement with experimental results. The largest error was from the B band of Tl+ and the deviation ratio was only -7.34%. Spacings for the energy levels A, B, and C become smaller because high energy level energies drop faster as he increases. By comparison, we found that the sensitivities of the A and B band energies of Sn2+, In+, and Tl+ to the host were different. The greatest change was observed for the Sn2+ ion and the In+ ion energy change was the smallest. More importantly, we found that the A, B, and C band energies splitting tendency for Sn2+, In+, and Tl+ also decreased as he increased even without splitting.

Key words: Dielectric theory of chemical bond, Alkali halide crystal, Environment factor, Energy level, Host


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