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Electronic structure and electronic absorption spectra of molybdenum and tungsten oxotetrachlorides
Authors:Igor A. Topol  Nikolaj F. Stepanov  Vasilij M. Kovba
Affiliation:(1) USSR Research Institute of Metrological Service, Ezdakov per. 1, 117334 Moscow, USSR;(2) Department of Chemistry, Moscow State University, 117234 Moscow, USSR
Abstract:Electronic absorption spectra of the molecules MoOCl4 and WOCl4 have been measured and their electronic structure has been calculated on the basis of the SCF-Xagr-SW theory in the overlapping atomic sphere model. Ionisation potentials and allowed optical transition energies have been found in the transition state approximation. The interpretation of the electronic absorption spectra of gaseous MoOCl4 and WOCl4 is given.
Keywords:Molybdenum and tungsten Oxotetrachlorides  Electronic structure and absorption spectra  SCF-X  /content/h21kh464p3152064/xxlarge945.gif"   alt="  agr"   align="  BASELINE"   BORDER="  0"  >-SW calculations
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