Matches in SemOpenAlex for { <https://semopenalex.org/work/W2056560579> ?p ?o ?g. }
Showing items 1 to 98 of
98
with 100 items per page.
- W2056560579 endingPage "165" @default.
- W2056560579 startingPage "161" @default.
- W2056560579 abstract "Infrared spectra of chlorodifluoromethane (CHClF 2 ) adsorbed on titanium dioxide (TiO 2 ) at room temperature have been investigated for the first time. From the comparison between the adsorption characteristics and the gas-phase spectra it can be deduced that the molecule interacts with the surface Lewis acid site (Ti 4+ ) mainly through the Cl atom even if also the adsorption with one F atom is also observed. Moreover, the spectra show the presence of H-bonds between the CH group and the surface Lewis basic site (OH − or O 2− ). In order to obtain more information on the molecule orientation and the variation of the structural parameters, a DFT-B3LYP study has been carried out considering the anatase (1 0 1) surface and evaluating the adsorption energetics in terms of interaction, distortion and binding energies. The obtained geometries confirm that both the acid–base interactions through Cl or F atoms are possible and suggest the formation of one H-bond between the CH group of the molecule and the Lewis basic site of the surface. The calculated vibrational frequencies of the adsorbed molecule have been found to be in reasonable agreement with the experimental data." @default.
- W2056560579 created "2016-06-24" @default.
- W2056560579 creator A5024036569 @default.
- W2056560579 creator A5032446860 @default.
- W2056560579 date "2011-07-01" @default.
- W2056560579 modified "2023-10-17" @default.
- W2056560579 title "Adsorbate–substrate interaction between chlorodifluoromethane and titanium dioxide: Infrared spectroscopy and density functional theory studies" @default.
- W2056560579 cites W1665422297 @default.
- W2056560579 cites W2009847422 @default.
- W2056560579 cites W2014228857 @default.
- W2056560579 cites W2016579008 @default.
- W2056560579 cites W2030860057 @default.
- W2056560579 cites W2033990154 @default.
- W2056560579 cites W2039346309 @default.
- W2056560579 cites W2062602228 @default.
- W2056560579 cites W2069503112 @default.
- W2056560579 cites W2073329862 @default.
- W2056560579 cites W2090757791 @default.
- W2056560579 cites W2092308338 @default.
- W2056560579 cites W2094642658 @default.
- W2056560579 cites W2117531423 @default.
- W2056560579 cites W2148941593 @default.
- W2056560579 doi "https://doi.org/10.1016/j.vibspec.2011.02.004" @default.
- W2056560579 hasPublicationYear "2011" @default.
- W2056560579 type Work @default.
- W2056560579 sameAs 2056560579 @default.
- W2056560579 citedByCount "1" @default.
- W2056560579 countsByYear W20565605792015 @default.
- W2056560579 crossrefType "journal-article" @default.
- W2056560579 hasAuthorship W2056560579A5024036569 @default.
- W2056560579 hasAuthorship W2056560579A5032446860 @default.
- W2056560579 hasConcept C120665830 @default.
- W2056560579 hasConcept C121332964 @default.
- W2056560579 hasConcept C147597530 @default.
- W2056560579 hasConcept C147789679 @default.
- W2056560579 hasConcept C149635348 @default.
- W2056560579 hasConcept C150394285 @default.
- W2056560579 hasConcept C152365726 @default.
- W2056560579 hasConcept C153642686 @default.
- W2056560579 hasConcept C158355884 @default.
- W2056560579 hasConcept C161790260 @default.
- W2056560579 hasConcept C163638829 @default.
- W2056560579 hasConcept C166950319 @default.
- W2056560579 hasConcept C178790620 @default.
- W2056560579 hasConcept C185592680 @default.
- W2056560579 hasConcept C191897082 @default.
- W2056560579 hasConcept C192562407 @default.
- W2056560579 hasConcept C2777402863 @default.
- W2056560579 hasConcept C2777593239 @default.
- W2056560579 hasConcept C32909587 @default.
- W2056560579 hasConcept C41008148 @default.
- W2056560579 hasConcept C58312451 @default.
- W2056560579 hasConcept C65165184 @default.
- W2056560579 hasConcept C8010536 @default.
- W2056560579 hasConceptScore W2056560579C120665830 @default.
- W2056560579 hasConceptScore W2056560579C121332964 @default.
- W2056560579 hasConceptScore W2056560579C147597530 @default.
- W2056560579 hasConceptScore W2056560579C147789679 @default.
- W2056560579 hasConceptScore W2056560579C149635348 @default.
- W2056560579 hasConceptScore W2056560579C150394285 @default.
- W2056560579 hasConceptScore W2056560579C152365726 @default.
- W2056560579 hasConceptScore W2056560579C153642686 @default.
- W2056560579 hasConceptScore W2056560579C158355884 @default.
- W2056560579 hasConceptScore W2056560579C161790260 @default.
- W2056560579 hasConceptScore W2056560579C163638829 @default.
- W2056560579 hasConceptScore W2056560579C166950319 @default.
- W2056560579 hasConceptScore W2056560579C178790620 @default.
- W2056560579 hasConceptScore W2056560579C185592680 @default.
- W2056560579 hasConceptScore W2056560579C191897082 @default.
- W2056560579 hasConceptScore W2056560579C192562407 @default.
- W2056560579 hasConceptScore W2056560579C2777402863 @default.
- W2056560579 hasConceptScore W2056560579C2777593239 @default.
- W2056560579 hasConceptScore W2056560579C32909587 @default.
- W2056560579 hasConceptScore W2056560579C41008148 @default.
- W2056560579 hasConceptScore W2056560579C58312451 @default.
- W2056560579 hasConceptScore W2056560579C65165184 @default.
- W2056560579 hasConceptScore W2056560579C8010536 @default.
- W2056560579 hasIssue "2" @default.
- W2056560579 hasLocation W20565605791 @default.
- W2056560579 hasOpenAccess W2056560579 @default.
- W2056560579 hasPrimaryLocation W20565605791 @default.
- W2056560579 hasRelatedWork W2004890661 @default.
- W2056560579 hasRelatedWork W2261632593 @default.
- W2056560579 hasRelatedWork W2355779170 @default.
- W2056560579 hasRelatedWork W2369554233 @default.
- W2056560579 hasRelatedWork W2391266886 @default.
- W2056560579 hasRelatedWork W2746320409 @default.
- W2056560579 hasRelatedWork W3035585639 @default.
- W2056560579 hasRelatedWork W3120736813 @default.
- W2056560579 hasRelatedWork W3160081720 @default.
- W2056560579 hasRelatedWork W3167182661 @default.
- W2056560579 hasVolume "56" @default.
- W2056560579 isParatext "false" @default.
- W2056560579 isRetracted "false" @default.
- W2056560579 magId "2056560579" @default.
- W2056560579 workType "article" @default.