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 |
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| _version_ | 1841563187648921600 |
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| author | Nikolai V. Nikolenko |
| author_facet | Nikolai V. Nikolenko |
| author_sort | Nikolai V. Nikolenko |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-fd81b5c1ab934931ad5a7beb55b40cb7 |
| institution | Kabale University |
| issn | 0263-6174 2048-4038 |
| language | English |
| publishDate | 2001-04-01 |
| publisher | SAGE Publishing |
| record_format | Article |
| series | Adsorption Science & Technology |
| spelling | doaj-art-fd81b5c1ab934931ad5a7beb55b40cb72025-01-03T00:11:02ZengSAGE PublishingAdsorption Science & Technology0263-61742048-40382001-04-011910.1260/0263617011494123The Surface Properties of Calcite: An Adsorption Model with Orbital ControlNikolai V. NikolenkoThe 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.https://doi.org/10.1260/0263617011494123 |
| spellingShingle | Nikolai V. Nikolenko The Surface Properties of Calcite: An Adsorption Model with Orbital Control Adsorption Science & Technology |
| title | The Surface Properties of Calcite: An Adsorption Model with Orbital Control |
| title_full | The Surface Properties of Calcite: An Adsorption Model with Orbital Control |
| title_fullStr | The Surface Properties of Calcite: An Adsorption Model with Orbital Control |
| title_full_unstemmed | The Surface Properties of Calcite: An Adsorption Model with Orbital Control |
| title_short | The Surface Properties of Calcite: An Adsorption Model with Orbital Control |
| title_sort | surface properties of calcite an adsorption model with orbital control |
| url | https://doi.org/10.1260/0263617011494123 |
| work_keys_str_mv | AT nikolaivnikolenko thesurfacepropertiesofcalciteanadsorptionmodelwithorbitalcontrol AT nikolaivnikolenko surfacepropertiesofcalciteanadsorptionmodelwithorbitalcontrol |