Matches in SemOpenAlex for { <https://semopenalex.org/work/W2079273844> ?p ?o ?g. }
Showing items 1 to 82 of
82
with 100 items per page.
- W2079273844 endingPage "2551" @default.
- W2079273844 startingPage "2540" @default.
- W2079273844 abstract "Unexplained quadrupole splittings ΔEQ of some Fe porphyrin compounds, deuteroheme (Py)2, mesoheme (Py)2, HbCO, HbO2, and Hb, measured by the Mössbauer effect, gave the impulse to evaluate within the 3d6 configuration, the eigenvalues and eigenvectors of a Hamiltonian, involving the Coulomb repulsion of 3d electrons and the tetragonal point symmetry of the iron cation. From these calculations it was found that the levels A11,E3,B25, and E5 lay lowest in energy. The resulting EFG tensors were compared with experiment in order to get information about the energy term scheme of these low-lying levels. The relatively large value of ΔEQ in deuteroheme (Py)2 results from spin–orbit interaction between the ground-state A11 and the low-lying E3 level (≈ 345 cm−1), which is raised to at least 1000 cm−1 in mesoheme (Py)2 and HbCO. In the case of HbO2, it is supposed that an antiparallel orientation of the oxygen spin (S = 1) and the spin of the E3 level would result in zero net spin. The calculated EFG, caused by the E3 level, agrees with experiment. For all diamagnetic compounds there is evidence for α low-lying high-spin level B25. In the case of ferrous high-spin iron in Hb, spin–orbit interaction was proved to be most important, too. In order to fit the measured ΔEQ(T) values, low-lying levels A11,E3,E5, beside the ground-state B25, have to be included in our calculations." @default.
- W2079273844 created "2016-06-24" @default.
- W2079273844 creator A5018522014 @default.
- W2079273844 creator A5086285034 @default.
- W2079273844 date "1969-03-15" @default.
- W2079273844 modified "2023-09-27" @default.
- W2079273844 title "Electronic Structure and Quadrupole Splittings of Ferrous Iron in Hemoglobin" @default.
- W2079273844 cites W1971332837 @default.
- W2079273844 cites W1981966620 @default.
- W2079273844 cites W2044263674 @default.
- W2079273844 cites W2069305574 @default.
- W2079273844 cites W2074945133 @default.
- W2079273844 cites W2077414458 @default.
- W2079273844 cites W2085823060 @default.
- W2079273844 cites W2086930500 @default.
- W2079273844 cites W2090673064 @default.
- W2079273844 cites W2313500378 @default.
- W2079273844 cites W33564208 @default.
- W2079273844 cites W4242818716 @default.
- W2079273844 doi "https://doi.org/10.1063/1.1671413" @default.
- W2079273844 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/5779587" @default.
- W2079273844 hasPublicationYear "1969" @default.
- W2079273844 type Work @default.
- W2079273844 sameAs 2079273844 @default.
- W2079273844 citedByCount "110" @default.
- W2079273844 countsByYear W20792738442013 @default.
- W2079273844 countsByYear W20792738442014 @default.
- W2079273844 countsByYear W20792738442015 @default.
- W2079273844 countsByYear W20792738442016 @default.
- W2079273844 countsByYear W20792738442017 @default.
- W2079273844 countsByYear W20792738442023 @default.
- W2079273844 crossrefType "journal-article" @default.
- W2079273844 hasAuthorship W2079273844A5018522014 @default.
- W2079273844 hasAuthorship W2079273844A5086285034 @default.
- W2079273844 hasConcept C115260700 @default.
- W2079273844 hasConcept C115624301 @default.
- W2079273844 hasConcept C121332964 @default.
- W2079273844 hasConcept C147597530 @default.
- W2079273844 hasConcept C170751736 @default.
- W2079273844 hasConcept C184779094 @default.
- W2079273844 hasConcept C185592680 @default.
- W2079273844 hasConcept C39984356 @default.
- W2079273844 hasConcept C62520636 @default.
- W2079273844 hasConcept C69523127 @default.
- W2079273844 hasConcept C8010536 @default.
- W2079273844 hasConcept C86025842 @default.
- W2079273844 hasConcept C96026104 @default.
- W2079273844 hasConceptScore W2079273844C115260700 @default.
- W2079273844 hasConceptScore W2079273844C115624301 @default.
- W2079273844 hasConceptScore W2079273844C121332964 @default.
- W2079273844 hasConceptScore W2079273844C147597530 @default.
- W2079273844 hasConceptScore W2079273844C170751736 @default.
- W2079273844 hasConceptScore W2079273844C184779094 @default.
- W2079273844 hasConceptScore W2079273844C185592680 @default.
- W2079273844 hasConceptScore W2079273844C39984356 @default.
- W2079273844 hasConceptScore W2079273844C62520636 @default.
- W2079273844 hasConceptScore W2079273844C69523127 @default.
- W2079273844 hasConceptScore W2079273844C8010536 @default.
- W2079273844 hasConceptScore W2079273844C86025842 @default.
- W2079273844 hasConceptScore W2079273844C96026104 @default.
- W2079273844 hasIssue "6" @default.
- W2079273844 hasLocation W20792738441 @default.
- W2079273844 hasLocation W20792738442 @default.
- W2079273844 hasOpenAccess W2079273844 @default.
- W2079273844 hasPrimaryLocation W20792738441 @default.
- W2079273844 hasRelatedWork W1986233569 @default.
- W2079273844 hasRelatedWork W2008797196 @default.
- W2079273844 hasRelatedWork W2012902194 @default.
- W2079273844 hasRelatedWork W2031094774 @default.
- W2079273844 hasRelatedWork W2059997117 @default.
- W2079273844 hasRelatedWork W2068182120 @default.
- W2079273844 hasRelatedWork W2078093079 @default.
- W2079273844 hasRelatedWork W2078349137 @default.
- W2079273844 hasRelatedWork W2312613976 @default.
- W2079273844 hasRelatedWork W3000000463 @default.
- W2079273844 hasVolume "50" @default.
- W2079273844 isParatext "false" @default.
- W2079273844 isRetracted "false" @default.
- W2079273844 magId "2079273844" @default.
- W2079273844 workType "article" @default.