Experimental and calculated electronic structure of gaseous CrO2F2and CrO2Cl2thinsp;

摘要

The gas phase electronic absorption spectra of CrO2F2and CrO2Cl2have been measured in the visible, near ultraviolet regions. Interpretation has been made by comparison with a molecular orbital calculation for each molecule by the SCFhyphen;Xagr;hyphen;SW method. The calculated ground and excited states and observed electronic transitions correlate directly with those for the parent isoelectronic CrO2minus;4and MnOminus;4species.