FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2026423386> ?p ?o ?g. }

• W2026423386 endingPage "5240" @default.
• W2026423386 startingPage "5228" @default.
• W2026423386 abstract "We present a consistent assignment of the electronic excitations in the electron-energy-loss spectra (EELS) of free and chemisorbed CO. The experimental data (for excitations up to 15 eV) show that for a variety of molecular environments (i.e., free, physisorbed, weakly or strongly chemisorbed) the electronic excitation energies change only slightly. New EELS experimental results for the CO/Fe(110) system are also presented. In order to gain some understanding as to the possible origin of this relative constancy in the excitation energies we have carried out a series of ab initio calculations on the ground state and various excited states of CO and NiCO. In the calculations, the generalized valence-bond configuration-interaction method has been employed. On the basis of these calculations it is possible to suggest that when CO is chemisorbed on a metal surface the bond energies of the surface complex for various excited states (arising from 4ensuremath{sigma}ensuremath{rightarrow}2ensuremath{pi} and 5ensuremath{sigma}ensuremath{rightarrow}2ensuremath{pi} excitations) are similar to the bond energy of metal---CO in the ground state. As a consequence, the excitation energies would be expected to be similar for the gas-phase molecule and the chemisorbed molecule, consistent with the experimental findings. Calculations are presented also for a charge-transfer excitation from the metal to the molecule. The concepts used for the valence excitations apply as well for the observed shifts of core-to-bound (C 1sensuremath{rightarrow}2ensuremath{pi}, O 1sensuremath{rightarrow}2ensuremath{pi}) excitations of adsorbed CO, with respect to gas-phase CO. It is suggested that upon chemisorption the relatively large singlet-triplet splitting of the core-to-bound excited states observed in the electron-energy-loss spectra of CO in the gas phase decreases due to interaction with the metal." @default.
• W2026423386 created "2016-06-24" @default.
• W2026423386 creator A5009688793 @default.
• W2026423386 creator A5013093707 @default.
• W2026423386 creator A5036358675 @default.
• W2026423386 creator A5048845850 @default.
• W2026423386 creator A5051401146 @default.
• W2026423386 creator A5057134204 @default.
• W2026423386 date "1986-04-15" @default.
• W2026423386 modified "2023-10-02" @default.
• W2026423386 title "Interpretation of electronic excitations in coordinated CO systems as observed by electron-energy-loss spectroscopy" @default.
• W2026423386 cites W185096634 @default.
• W2026423386 cites W1966199112 @default.
• W2026423386 cites W1970220660 @default.
• W2026423386 cites W1977952162 @default.
• W2026423386 cites W1978666106 @default.
• W2026423386 cites W1982323223 @default.
• W2026423386 cites W1986448829 @default.
• W2026423386 cites W1987936095 @default.
• W2026423386 cites W1994892771 @default.
• W2026423386 cites W1997961978 @default.
• W2026423386 cites W2007849815 @default.
• W2026423386 cites W2009322333 @default.
• W2026423386 cites W2013043115 @default.
• W2026423386 cites W2014616489 @default.
• W2026423386 cites W2026946313 @default.
• W2026423386 cites W2028510896 @default.
• W2026423386 cites W2032028309 @default.
• W2026423386 cites W2033412617 @default.
• W2026423386 cites W2036048800 @default.
• W2026423386 cites W2046002177 @default.
• W2026423386 cites W2047020724 @default.
• W2026423386 cites W2049539175 @default.
• W2026423386 cites W2050055947 @default.
• W2026423386 cites W2051208245 @default.
• W2026423386 cites W2053309369 @default.
• W2026423386 cites W2053701122 @default.
• W2026423386 cites W2055401768 @default.
• W2026423386 cites W2057242033 @default.
• W2026423386 cites W2065605816 @default.
• W2026423386 cites W2075588987 @default.
• W2026423386 cites W2078483896 @default.
• W2026423386 cites W2081092083 @default.
• W2026423386 cites W2089718304 @default.
• W2026423386 cites W2090697555 @default.
• W2026423386 cites W2091987798 @default.
• W2026423386 cites W2157884188 @default.
• W2026423386 cites W2752821034 @default.
• W2026423386 cites W2950713971 @default.
• W2026423386 cites W3161500214 @default.
• W2026423386 cites W4214506458 @default.
• W2026423386 cites W4239663919 @default.
• W2026423386 cites W4245522636 @default.
• W2026423386 doi "https://doi.org/10.1103/physrevb.33.5228" @default.
• W2026423386 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/9939020" @default.
• W2026423386 hasPublicationYear "1986" @default.
• W2026423386 type Work @default.
• W2026423386 sameAs 2026423386 @default.
• W2026423386 citedByCount "14" @default.
• W2026423386 crossrefType "journal-article" @default.
• W2026423386 hasAuthorship W2026423386A5009688793 @default.
• W2026423386 hasAuthorship W2026423386A5013093707 @default.
• W2026423386 hasAuthorship W2026423386A5036358675 @default.
• W2026423386 hasAuthorship W2026423386A5048845850 @default.
• W2026423386 hasAuthorship W2026423386A5051401146 @default.
• W2026423386 hasAuthorship W2026423386A5057134204 @default.
• W2026423386 hasConcept C121332964 @default.
• W2026423386 hasConcept C147120987 @default.
• W2026423386 hasConcept C168900304 @default.
• W2026423386 hasConcept C181500209 @default.
• W2026423386 hasConcept C184779094 @default.
• W2026423386 hasConcept C26873012 @default.
• W2026423386 hasConcept C2778005398 @default.
• W2026423386 hasConcept C32891209 @default.
• W2026423386 hasConcept C32909587 @default.
• W2026423386 hasConcept C38649801 @default.
• W2026423386 hasConcept C62520636 @default.
• W2026423386 hasConcept C69523127 @default.
• W2026423386 hasConcept C83581075 @default.
• W2026423386 hasConcept C86025842 @default.
• W2026423386 hasConceptScore W2026423386C121332964 @default.
• W2026423386 hasConceptScore W2026423386C147120987 @default.
• W2026423386 hasConceptScore W2026423386C168900304 @default.
• W2026423386 hasConceptScore W2026423386C181500209 @default.
• W2026423386 hasConceptScore W2026423386C184779094 @default.
• W2026423386 hasConceptScore W2026423386C26873012 @default.
• W2026423386 hasConceptScore W2026423386C2778005398 @default.
• W2026423386 hasConceptScore W2026423386C32891209 @default.
• W2026423386 hasConceptScore W2026423386C32909587 @default.
• W2026423386 hasConceptScore W2026423386C38649801 @default.
• W2026423386 hasConceptScore W2026423386C62520636 @default.
• W2026423386 hasConceptScore W2026423386C69523127 @default.
• W2026423386 hasConceptScore W2026423386C83581075 @default.
• W2026423386 hasConceptScore W2026423386C86025842 @default.
• W2026423386 hasIssue "8" @default.
• W2026423386 hasLocation W20264233861 @default.
• W2026423386 hasLocation W20264233862 @default.
• W2026423386 hasOpenAccess W2026423386 @default.

• next