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How to Calculate CFSE

The Crystal Field Theory is a scientific theory that ignores the covalent (molecular) bonds in a compound and instead focuses on the ionic (salt) bonds. Physicists use the Crystal Field Theory to predict the chemical, kinetic, magnetic and spectral properties of ionic compounds. The theory is also used to elucidate reaction mechanisms and thermodynamic information. A main tenet of the Crystal Field Theory is that some electron configurations are more stable than others. The more stable a configuration, the lower its Crystal Field Stabilization Energy (CFSE).

Instructions

  1. Octahedral complexes

    • 1

      Count the number of t2g (stable) electrons. Multiply this number by -2/5"o. The symbol " (delta) is the crystal field splitting parameter, which reflects the splitting of energy levels that occurs when electrons are located in regions of high versus low electron density. The symbol "o is the octahedral crystal field splitting parameter.

    • 2

      Count the number of eg (higher energy) electrons. Multiply this number by 3/5"o.

    • 3

      Add the products from Steps 1 and 2. The sum is the CFSE.

    Tetrahedral Complexes

    • 4

      Count the number of e (stable) electrons. Multiply this number by -3/5"t. The symbol "t is the tetrahedral crystal field splitting parameter.

    • 5

      Count the number of t2 (higher energy) electrons. Multiply this number by 2/5"t.

    • 6

      Add the products from Steps 1 and 2. The sum is the CFSE.

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