Matches in SemOpenAlex for { <https://semopenalex.org/work/W2014759218> ?p ?o ?g. }
- W2014759218 endingPage "7136" @default.
- W2014759218 startingPage "7124" @default.
- W2014759218 abstract "The equilibrium geometry and the vibrational force field of the ground and the lowest triplet electronic states of biphenyl and three bridged derivatives−biphenylene, fluorene and phenanthrene−are computed by using an updated version of the QCFF/PI (Quantum Chemical Force Field/π electron) Hamiltonian. The displacement parameters between T1 and S0 are obtained and used to model the S0→T1 absorption and the phosphorescence spectra. The calculated Franck–Condon envelopes are found to be in excellent agreement with the vibrational structure of the observed spectra. The common features of the phosphorescence spectra of biphenyl and fluorene are related to the same orbital nature of the lowest triplet state. The observed asymmetry between the phosphorescence and singlet–triplet absorption spectra of biphenyl is reproduced when the twisted equilibrium geometry of S0 is considered. It is shown that evidence of the nonplanarity of the ground state of biphenyl is manifested by the lower intensity of the band observed in the phosphorescence at 747 cm−1 with respect to the intensity of the same band in fluorene. The increased vibrational activity calculated in the lower frequency region for biphenylene and phenanthrene agrees with the observed spectra and reflects the different orbital nature of the lowest triplet state of the two strongly perturbed bridged derivatives with respect to biphenyl and fluorene. From the analysis of the computed vibrational frequencies, it is suggested that the false origin of the symmetry forbidden phosphorescence of biphenylene is due to the lowest out-of-plane mode of au symmetry." @default.
- W2014759218 created "2016-06-24" @default.
- W2014759218 creator A5027738820 @default.
- W2014759218 creator A5039404749 @default.
- W2014759218 date "1992-11-15" @default.
- W2014759218 modified "2023-10-12" @default.
- W2014759218 title "Franck–Condon analysis of the <i>S</i>→<i>T</i>1 absorption and phosphorescence spectra of biphenyl and bridged derivatives" @default.
- W2014759218 cites W1965522561 @default.
- W2014759218 cites W1967243590 @default.
- W2014759218 cites W1970193771 @default.
- W2014759218 cites W1976835112 @default.
- W2014759218 cites W1977731999 @default.
- W2014759218 cites W1979313952 @default.
- W2014759218 cites W1980403330 @default.
- W2014759218 cites W1992689319 @default.
- W2014759218 cites W1996803945 @default.
- W2014759218 cites W1996875703 @default.
- W2014759218 cites W1997034978 @default.
- W2014759218 cites W1998234976 @default.
- W2014759218 cites W1999851766 @default.
- W2014759218 cites W2013593697 @default.
- W2014759218 cites W2014615071 @default.
- W2014759218 cites W2018559853 @default.
- W2014759218 cites W2020746015 @default.
- W2014759218 cites W2024990576 @default.
- W2014759218 cites W2027132576 @default.
- W2014759218 cites W2028415578 @default.
- W2014759218 cites W2028504165 @default.
- W2014759218 cites W2028730508 @default.
- W2014759218 cites W2034611370 @default.
- W2014759218 cites W2034675798 @default.
- W2014759218 cites W2035804962 @default.
- W2014759218 cites W2046414393 @default.
- W2014759218 cites W2049059403 @default.
- W2014759218 cites W2052954631 @default.
- W2014759218 cites W2057939517 @default.
- W2014759218 cites W2062823919 @default.
- W2014759218 cites W2066148764 @default.
- W2014759218 cites W2068185360 @default.
- W2014759218 cites W2079166264 @default.
- W2014759218 cites W2086023009 @default.
- W2014759218 cites W2087709045 @default.
- W2014759218 cites W2090597021 @default.
- W2014759218 cites W2093826245 @default.
- W2014759218 cites W2114841857 @default.
- W2014759218 cites W2127560388 @default.
- W2014759218 cites W2129819479 @default.
- W2014759218 cites W2319856394 @default.
- W2014759218 cites W2326989984 @default.
- W2014759218 cites W2333104810 @default.
- W2014759218 cites W2515353229 @default.
- W2014759218 cites W4247246119 @default.
- W2014759218 doi "https://doi.org/10.1063/1.463537" @default.
- W2014759218 hasPublicationYear "1992" @default.
- W2014759218 type Work @default.
- W2014759218 sameAs 2014759218 @default.
- W2014759218 citedByCount "47" @default.
- W2014759218 countsByYear W20147592182013 @default.
- W2014759218 countsByYear W20147592182016 @default.
- W2014759218 countsByYear W20147592182019 @default.
- W2014759218 countsByYear W20147592182020 @default.
- W2014759218 countsByYear W20147592182021 @default.
- W2014759218 countsByYear W20147592182022 @default.
- W2014759218 crossrefType "journal-article" @default.
- W2014759218 hasAuthorship W2014759218A5027738820 @default.
- W2014759218 hasAuthorship W2014759218A5039404749 @default.
- W2014759218 hasConcept C119824511 @default.
- W2014759218 hasConcept C121332964 @default.
- W2014759218 hasConcept C1276947 @default.
- W2014759218 hasConcept C178790620 @default.
- W2014759218 hasConcept C181817918 @default.
- W2014759218 hasConcept C184779094 @default.
- W2014759218 hasConcept C185592680 @default.
- W2014759218 hasConcept C2776211377 @default.
- W2014759218 hasConcept C32909587 @default.
- W2014759218 hasConcept C41999313 @default.
- W2014759218 hasConcept C4839761 @default.
- W2014759218 hasConcept C521977710 @default.
- W2014759218 hasConcept C62520636 @default.
- W2014759218 hasConcept C69523127 @default.
- W2014759218 hasConcept C75473681 @default.
- W2014759218 hasConcept C76766466 @default.
- W2014759218 hasConcept C91881484 @default.
- W2014759218 hasConceptScore W2014759218C119824511 @default.
- W2014759218 hasConceptScore W2014759218C121332964 @default.
- W2014759218 hasConceptScore W2014759218C1276947 @default.
- W2014759218 hasConceptScore W2014759218C178790620 @default.
- W2014759218 hasConceptScore W2014759218C181817918 @default.
- W2014759218 hasConceptScore W2014759218C184779094 @default.
- W2014759218 hasConceptScore W2014759218C185592680 @default.
- W2014759218 hasConceptScore W2014759218C2776211377 @default.
- W2014759218 hasConceptScore W2014759218C32909587 @default.
- W2014759218 hasConceptScore W2014759218C41999313 @default.
- W2014759218 hasConceptScore W2014759218C4839761 @default.
- W2014759218 hasConceptScore W2014759218C521977710 @default.
- W2014759218 hasConceptScore W2014759218C62520636 @default.
- W2014759218 hasConceptScore W2014759218C69523127 @default.
- W2014759218 hasConceptScore W2014759218C75473681 @default.