how to calculate crystal field stabilisation energy?

how to calculate crystal field stabilisation energy?


1 Answers

askIITians Faculty 36 Points
8 years ago
A consequence of Crystal Field Theory is that the distribution of electrons in the d orbitals can lead to stabilisation for some electron configurations.

It is a simple matter to calculate this stabilisation since all that is needed is the electron configuration.

For an octahedral complex, an electron in the more stable t2gsubset is treated as contributing-2/5?whereas an electron in the higher energy egsubset contributes to a destabilisation of+3/5?.

The final answer is then expressed as a multiple of the crystal field splitting parameter ? (Delta).

Based on this, the Crystal Field Stabilisation Energies for d0to d10configurations can then be used to calculate the Octahedral Site Preference Energies, which is defined as:OSPE = CFSE (oct) - CFSE (tet)

Note:the conversion between ?octand ?tetused for these calculations is:
?tet= ?oct* 4/9

Thanks & Regards
Gaurav SIngh
askIITians Faculty

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