Pentaamminechromium(III) t2g3 Level Properties as Determined from Vibronic Spectra and Crystal Field Calculations

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<jats:title>Abstract</jats:title> <jats:p>Low temperature (∼5 K) absorption and emission spectra of various halogenopentaamminechromium(III) salts have been recorded at high sensitivity in the intercombination region from pure microcrystalline powders and doped into corresponding rhodium complexes. Zero phonon and vibrational side bands are better resolved than reported in earlier investigations. They depend on the crystal lattice and allow a more detailed analysis of the vibrational fine structure. For carrying out reliable assignments to vibronic energy levels, the influence of the crystalline environment in different salts is found to be of major importance. Ligand field and angular overlap calculations are very helpful for solving the assignment problem, they can reproduce the proposed energy level scheme if symmetry adapted π-orbital expansion coefficients are introduced into the electron repulsion terms.</jats:p>

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