The Surface Properties of Calcite: An Adsorption Model with Orbital Control
The energies of unoccupied and occupied orbitals were used as the correlation parameters between the electronic and adsorptive properties of organic molecules. A model describing the chemisorption of organic compounds on CaCO 3 involving two types of interaction, i.e. two-electron, donor–acceptor in...
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| Format: | Article |
| Language: | English |
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SAGE Publishing
2001-04-01
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| Series: | Adsorption Science & Technology |
| Online Access: | https://doi.org/10.1260/0263617011494123 |
| Summary: | The energies of unoccupied and occupied orbitals were used as the correlation parameters between the electronic and adsorptive properties of organic molecules. A model describing the chemisorption of organic compounds on CaCO 3 involving two types of interaction, i.e. two-electron, donor–acceptor interaction HOMO(adsorbent) → LUMO(adsorbate) and four-electron, three-orbital interaction HOMO(adsorbent) → {LUMO(adsorbate) + HOMO(adsorbate)}, was proposed. It was concluded that strengthening of the bond involved in chemisorption occurred if the energies of the occupied orbitals associated with the adsorbate and adsorbent were concurrent. |
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| ISSN: | 0263-6174 2048-4038 |