Transition Energy Formula:
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Definition: This calculator computes the energy of transition from T1g to A2g state in an Orgel diagram.
Purpose: It helps in understanding electronic transitions in coordination complexes and crystal field theory calculations.
The calculator uses the formula:
Where:
Explanation: The energy difference is multiplied by 9/5 and then the configuration interaction term is added.
Details: Accurate transition energy calculations are crucial for predicting electronic spectra and understanding the electronic structure of coordination compounds.
Tips: Enter the energy difference (Δ) and configuration interaction (CI) values in Diopter. Both values must be positive numbers.
Q1: What is an Orgel diagram?
A: An Orgel diagram shows the energy levels of d-electron configurations in octahedral and tetrahedral ligand fields.
Q2: What units should I use for the inputs?
A: The calculator uses Diopter (D) units for both input and output values.
Q3: What is configuration interaction?
A: Configuration interaction represents the energy contribution from electron-electron repulsion between like terms.
Q4: How accurate is this calculation?
A: This provides a theoretical estimate; actual experimental values may vary due to additional factors.
Q5: Can I use this for tetrahedral complexes?
A: This specific formula is designed for octahedral complexes; different formulas apply for tetrahedral geometry.