Molecular Orbitals and Optical Spectra
Precise molecular orbital calculations on a system as large as an iron-porphyrin complex have so far been unattainable. The real molecular structure must be simplified and idealized in certain respects, and even then it is necessary to introduce a variety of approximations whose validity is often difficult to assess. Quantitative results should therefore be viewed with considerable caution. Despite such deficiencies, molecular orbital calculations provide us with useful conceptual tools for the interpretation of experimental findings.
KeywordsMolecular Orbital Optical Spectrum Iron Atom Atomic Orbital Soret Band
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