Molecular Orbitals of (NH_4)_2SO_4:Tl

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概要

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• One electron molecular orbital(MO) energy levels of Tl-(SO.). complexes in(NH.).S0. have been calculated by using the charge-consistent extended Hiickelmethod at various temperatures from 25 to - 140'C . The calculation has been performed both for the ground and excited states, and the result shows that the highestoccupied MO in the ground state, ,5', mainly consists of the thallous 6s orbital, andthe lowest three partially occupied MO's in the excited state, p;'5.., consist of thethallous 6p orbitals. The optical absorption bands of (NH.).S0.:Tl are attributed tothe transitions between MO's, .s' and p;7... The temperature dejcendence of the absorp-lion spectra is explained by that of both the energies of MO's and the crystal fields of(NH.).S0. crystals.

• 社団法人日本物理学会の論文
• 1987-01-15

著者

• MABUCHI Teruhiko

  Institute for Optical Research, Kyoiku University

• Mabuchi Teruhiko

  Institute For Applied Physics University Of Tsukuba

• ABE Hidenori

  Institute of Applied Physics,University of Tsukuba

• Abe Hidenori

  Institute Of Applied Physics University Of Tsukuba

• Abe Hidenori

  Institute Of Applied Physics University Of Tsukuba:nippon Mining Co. Ltd.central Research Laboratori

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