In summary, "D-orbital splitting with CASSCF" discusses the application of Complete Active Space Self-Consistent Field (CASSCF) methods to understand the energy levels and splitting of d-orbitals in transition metal complexes. It emphasizes how the electronic structure and symmetry of the complexes influence d-orbital interactions, leading to varying degrees of splitting based on factors such as ligand field strength and geometry. The CASSCF approach allows for accurate modeling of these interactions, providing insights into the electronic properties and reactivity of transition metal systems.
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PamRS
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How can i describe the d-orbital splitting of [Cr(H2O)6]3+ using the casscf method?