Transition Energy Formula:
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Definition: This calculator computes the transition energy between electronic states A2g and T1gP in coordination complexes.
Purpose: It helps chemists and researchers understand electronic transitions in transition metal complexes.
The calculator uses the formula:
Where:
Explanation: The formula accounts for the energy difference, electron-electron repulsion (via Racah parameter), and configuration interactions.
Details: Understanding these transitions helps predict optical properties, color, and reactivity of coordination compounds.
Tips: Enter the energy difference, Racah parameter, and configuration interaction values. All values must be > 0.
Q1: What is the Racah parameter?
A: The Racah parameter describes electron-electron repulsion effects in metal complexes.
Q2: What units are used in this calculation?
A: All values are in diopters (cm⁻¹), the common unit for transition energies.
Q3: Where can I find typical values for these parameters?
A: Reference books on coordination chemistry or spectroscopic data tables contain these values.
Q4: What affects the configuration interaction term?
A: CI depends on the specific electronic states involved and their symmetry properties.
Q5: How accurate is this calculation?
A: It provides a good estimate but exact values may require more sophisticated calculations.