Concerning the FERMO concept and Pearson's Hard and Soft acid-base principle
The FERMO concept was successfully applied to the Pearson's Hard and Soft acid-base principle for four ambidentate ligands. Using an intuitive statement based on the HOMO-LUMO approach to the hardness and softness, the FERMO-LUMO gaps correctly describe the soft and hard sites in the studied systems. Moreover, Kohn-Sham and Hartree-Fock MOs lead to same conclusions.
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| Main Authors: | , , , |
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| Format: | Digital revista |
| Language: | English |
| Published: |
Sociedade Brasileira de Química
2006
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| Online Access: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532006000200002 |
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