Matches in SemOpenAlex for { <https://semopenalex.org/work/W2076809969> ?p ?o ?g. }
Showing items 1 to 94 of
94
with 100 items per page.
- W2076809969 endingPage "3729" @default.
- W2076809969 startingPage "3721" @default.
- W2076809969 abstract "The geometry of the ground and excited singlet and triplet 1B2 electronic states of cyclopentadiene is optimized by ab initio (configuration interaction singles) and semiempirical (quantum chemical force field) methods. The optimized structures provide displacement parameters of the totally symmetric modes for the singlet→singlet and singlet→triplet transitions. The calculated singlet→singlet absorption spectrum for cyclopentadiene and its fully deuterated isotopomer agree very well with the observed spectra. It is demonstrated that the difference of these spectra from those of a linear polyene (butadiene) results from the strong Franck–Condon activity of the lowest frequency a1 mode which describes CCC bending. It is shown that the properties of the triplet and singlet 1B2 states differ greatly as a result of their different nature; the former being mostly covalent, whereas the latter is mostly ionic. This leads to different Franck–Condon structures of the 1 1A1→1 1B2 and 1 1A1→1 3B2 transitions. The ion..." @default.
- W2076809969 created "2016-06-24" @default.
- W2076809969 creator A5027738820 @default.
- W2076809969 creator A5087288201 @default.
- W2076809969 date "1993-09-01" @default.
- W2076809969 modified "2023-09-25" @default.
- W2076809969 title "Theoretical study of the vibronic structure of the 1 1A1→1 1B2 and 1 1A1→1 3B2 electronic transitions in cyclopentadiene" @default.
- W2076809969 cites W1967747649 @default.
- W2076809969 cites W1967937897 @default.
- W2076809969 cites W1970196901 @default.
- W2076809969 cites W1976823890 @default.
- W2076809969 cites W1977731999 @default.
- W2076809969 cites W1979313952 @default.
- W2076809969 cites W1979435023 @default.
- W2076809969 cites W1986197579 @default.
- W2076809969 cites W1988902241 @default.
- W2076809969 cites W2000135798 @default.
- W2076809969 cites W2009038096 @default.
- W2076809969 cites W2014615071 @default.
- W2076809969 cites W2014759218 @default.
- W2076809969 cites W2015785813 @default.
- W2076809969 cites W2019201607 @default.
- W2076809969 cites W2057292154 @default.
- W2076809969 cites W2059354356 @default.
- W2076809969 cites W2070458146 @default.
- W2076809969 cites W2070966617 @default.
- W2076809969 cites W2087679519 @default.
- W2076809969 cites W2087709045 @default.
- W2076809969 cites W2089099246 @default.
- W2076809969 cites W2112453592 @default.
- W2076809969 cites W2129819479 @default.
- W2076809969 cites W2150875231 @default.
- W2076809969 cites W2315287791 @default.
- W2076809969 doi "https://doi.org/10.1063/1.466192" @default.
- W2076809969 hasPublicationYear "1993" @default.
- W2076809969 type Work @default.
- W2076809969 sameAs 2076809969 @default.
- W2076809969 citedByCount "37" @default.
- W2076809969 countsByYear W20768099692012 @default.
- W2076809969 countsByYear W20768099692013 @default.
- W2076809969 countsByYear W20768099692014 @default.
- W2076809969 countsByYear W20768099692021 @default.
- W2076809969 crossrefType "journal-article" @default.
- W2076809969 hasAuthorship W2076809969A5027738820 @default.
- W2076809969 hasAuthorship W2076809969A5087288201 @default.
- W2076809969 hasConcept C121332964 @default.
- W2076809969 hasConcept C147597530 @default.
- W2076809969 hasConcept C161790260 @default.
- W2076809969 hasConcept C178790620 @default.
- W2076809969 hasConcept C182498248 @default.
- W2076809969 hasConcept C185592680 @default.
- W2076809969 hasConcept C19329426 @default.
- W2076809969 hasConcept C21074235 @default.
- W2076809969 hasConcept C2778176622 @default.
- W2076809969 hasConcept C32909587 @default.
- W2076809969 hasConcept C4839761 @default.
- W2076809969 hasConcept C62520636 @default.
- W2076809969 hasConcept C75473681 @default.
- W2076809969 hasConcept C86025842 @default.
- W2076809969 hasConceptScore W2076809969C121332964 @default.
- W2076809969 hasConceptScore W2076809969C147597530 @default.
- W2076809969 hasConceptScore W2076809969C161790260 @default.
- W2076809969 hasConceptScore W2076809969C178790620 @default.
- W2076809969 hasConceptScore W2076809969C182498248 @default.
- W2076809969 hasConceptScore W2076809969C185592680 @default.
- W2076809969 hasConceptScore W2076809969C19329426 @default.
- W2076809969 hasConceptScore W2076809969C21074235 @default.
- W2076809969 hasConceptScore W2076809969C2778176622 @default.
- W2076809969 hasConceptScore W2076809969C32909587 @default.
- W2076809969 hasConceptScore W2076809969C4839761 @default.
- W2076809969 hasConceptScore W2076809969C62520636 @default.
- W2076809969 hasConceptScore W2076809969C75473681 @default.
- W2076809969 hasConceptScore W2076809969C86025842 @default.
- W2076809969 hasIssue "5" @default.
- W2076809969 hasLocation W20768099691 @default.
- W2076809969 hasOpenAccess W2076809969 @default.
- W2076809969 hasPrimaryLocation W20768099691 @default.
- W2076809969 hasRelatedWork W2017799323 @default.
- W2076809969 hasRelatedWork W2029997832 @default.
- W2076809969 hasRelatedWork W2055471863 @default.
- W2076809969 hasRelatedWork W2060424074 @default.
- W2076809969 hasRelatedWork W2092155646 @default.
- W2076809969 hasRelatedWork W2385491967 @default.
- W2076809969 hasRelatedWork W3039902424 @default.
- W2076809969 hasRelatedWork W3176270075 @default.
- W2076809969 hasRelatedWork W3183138082 @default.
- W2076809969 hasRelatedWork W1970422499 @default.
- W2076809969 hasVolume "99" @default.
- W2076809969 isParatext "false" @default.
- W2076809969 isRetracted "false" @default.
- W2076809969 magId "2076809969" @default.
- W2076809969 workType "article" @default.