An XES and XPS study of the electronic structure of molybdenum complexes |
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| Affiliation: | 1. Vilnius University, Faculty of Chemistry and Geosciences, Institute of Chemistry, Naugarduko str. 24, LT-03225, Vilnius, Lithuania;2. Vilnius University, Life Science Center, Institute of Biochemistry, Sauletekio av. 7, LT-102587, Vilnius, Lithuania;3. Universidade do Porto, REQUIMTE/LAQV, Departamento de Química e Bioquímica, Faculdade de Ciências, Rua do Campo Alegre, 4169-007, Porto, Portugal;1. College of Materials and Chemical Engineering, China Three Gorges University 8 Daxue Road, Yichang, Hubei 443002, China;2. Collaborative Innovation Center for Microgrid of New Energy, Yichang, Hubei 443002, China;1. Department of Chemical and Biological Engineering, Korea University, 145 Anam-Ro, Seongbuk-Gu, Seoul 02841, Republic of Korea;2. Biomass and Wastes Energy Laboratory, Korea Institute of Energy Research, 152 Gajeong-Ro, Yuseong-Gu, Daejeon 34129, Republic of Korea |
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| Abstract: | The AlKα excited X-ray photoelectron spectra of the valence and the core regions and the SKβ, SKα and MoLβ2 X-ray emission spectra of Li2MoO4, (NH4)2MoS4, K3Mo(SCN)6 and K2WS4 have been measured. The major peaks in the photoelectron spectra of the valence region are identified comparing XPS, XES and theoretical data from semiempirical and ab initio calculations. The highest occupied valence level in tetrathiomolybdates is concluded to be t1. The atomic charge on sulfur is estimated using the SKα shifts with the aid of a free ion model. |
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