Matches in SemOpenAlex for { <https://semopenalex.org/work/W2066819656> ?p ?o ?g. }
- W2066819656 endingPage "329" @default.
- W2066819656 startingPage "323" @default.
- W2066819656 abstract "The electronic excited states of BF2 dipyrromethene (2BrDPM, DPMI, DPMII, PM567 and 4PhDPM) complexes were investigated using the extended multi-configuration quasi-degenerate at the second order of perturbation theory (XMCQDPT2) and the second-order approximate coupled-cluster (CC2) methods. The excitation energies calculated by CC2 are significantly overestimated by 0.42–0.59 eV because of the substantial contributions of double excitation levels to excited states (>10%). However, the calculated XMCQDPT2 excitation energies agree well with experimental ones within the accuracy 0.11–0.20 eV. The very low lasing efficiency (7.8–8.4%) of 4PhDPM compound was explained by the T1 → T4 and T1 → T5 reabsorptions at XMCQDPT2 level of theory. The molecular photonics of pyrromethenes are studied using a combination of the first-principle and semi-empirical calculations. The main mechanism for the deactivation of the energy of the first singlet excited electronic state is the radiative electronic transition for DPMI, DPMII, PM567 and 4PhDPM compounds. Also, the main mechanism for the quenching of fluorescence in considered complexes (except DPMII compound) is the internal conversion. The processes of the internal conversion and intersystem crossing compete with each other in DPMII compound. The measured and calculated fluorescence quantum yields agree well for all considered molecules." @default.
- W2066819656 created "2016-06-24" @default.
- W2066819656 creator A5015945799 @default.
- W2066819656 creator A5026217625 @default.
- W2066819656 creator A5027531597 @default.
- W2066819656 creator A5031276789 @default.
- W2066819656 creator A5036395372 @default.
- W2066819656 creator A5080134710 @default.
- W2066819656 creator A5089685386 @default.
- W2066819656 date "2014-01-01" @default.
- W2066819656 modified "2023-10-18" @default.
- W2066819656 title "The computational and experimental investigations of photophysical and spectroscopic properties of BF2 dipyrromethene complexes" @default.
- W2066819656 cites W1534726296 @default.
- W2066819656 cites W1659895369 @default.
- W2066819656 cites W1966348647 @default.
- W2066819656 cites W1969118028 @default.
- W2066819656 cites W1975155744 @default.
- W2066819656 cites W1984510250 @default.
- W2066819656 cites W1988091937 @default.
- W2066819656 cites W1997855068 @default.
- W2066819656 cites W2001610350 @default.
- W2066819656 cites W2004960511 @default.
- W2066819656 cites W2009218426 @default.
- W2066819656 cites W2009439789 @default.
- W2066819656 cites W2010131049 @default.
- W2066819656 cites W2017735703 @default.
- W2066819656 cites W2023271753 @default.
- W2066819656 cites W2028022118 @default.
- W2066819656 cites W2035942888 @default.
- W2066819656 cites W2044578607 @default.
- W2066819656 cites W2046823906 @default.
- W2066819656 cites W2056688185 @default.
- W2066819656 cites W2056967289 @default.
- W2066819656 cites W2059635855 @default.
- W2066819656 cites W2060226575 @default.
- W2066819656 cites W2061777197 @default.
- W2066819656 cites W2062852634 @default.
- W2066819656 cites W2066812301 @default.
- W2066819656 cites W2071321760 @default.
- W2066819656 cites W2075855294 @default.
- W2066819656 cites W2082037815 @default.
- W2066819656 cites W2083001939 @default.
- W2066819656 cites W2084791520 @default.
- W2066819656 cites W2089992483 @default.
- W2066819656 cites W2095747999 @default.
- W2066819656 cites W2106089555 @default.
- W2066819656 cites W2107532535 @default.
- W2066819656 cites W2113981935 @default.
- W2066819656 cites W2135718354 @default.
- W2066819656 cites W2143981217 @default.
- W2066819656 cites W2156425475 @default.
- W2066819656 cites W2164287713 @default.
- W2066819656 doi "https://doi.org/10.1016/j.saa.2013.08.042" @default.
- W2066819656 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24001974" @default.
- W2066819656 hasPublicationYear "2014" @default.
- W2066819656 type Work @default.
- W2066819656 sameAs 2066819656 @default.
- W2066819656 citedByCount "33" @default.
- W2066819656 countsByYear W20668196562013 @default.
- W2066819656 countsByYear W20668196562014 @default.
- W2066819656 countsByYear W20668196562015 @default.
- W2066819656 countsByYear W20668196562016 @default.
- W2066819656 countsByYear W20668196562017 @default.
- W2066819656 countsByYear W20668196562018 @default.
- W2066819656 countsByYear W20668196562019 @default.
- W2066819656 countsByYear W20668196562020 @default.
- W2066819656 countsByYear W20668196562021 @default.
- W2066819656 countsByYear W20668196562022 @default.
- W2066819656 countsByYear W20668196562023 @default.
- W2066819656 crossrefType "journal-article" @default.
- W2066819656 hasAuthorship W2066819656A5015945799 @default.
- W2066819656 hasAuthorship W2066819656A5026217625 @default.
- W2066819656 hasAuthorship W2066819656A5027531597 @default.
- W2066819656 hasAuthorship W2066819656A5031276789 @default.
- W2066819656 hasAuthorship W2066819656A5036395372 @default.
- W2066819656 hasAuthorship W2066819656A5080134710 @default.
- W2066819656 hasAuthorship W2066819656A5089685386 @default.
- W2066819656 hasConcept C101848323 @default.
- W2066819656 hasConcept C116039458 @default.
- W2066819656 hasConcept C121332964 @default.
- W2066819656 hasConcept C147120987 @default.
- W2066819656 hasConcept C178790620 @default.
- W2066819656 hasConcept C181500209 @default.
- W2066819656 hasConcept C184779094 @default.
- W2066819656 hasConcept C185592680 @default.
- W2066819656 hasConcept C19637589 @default.
- W2066819656 hasConcept C2777529809 @default.
- W2066819656 hasConcept C32909587 @default.
- W2066819656 hasConcept C33062035 @default.
- W2066819656 hasConcept C62520636 @default.
- W2066819656 hasConcept C72319582 @default.
- W2066819656 hasConcept C73978554 @default.
- W2066819656 hasConcept C83581075 @default.
- W2066819656 hasConceptScore W2066819656C101848323 @default.
- W2066819656 hasConceptScore W2066819656C116039458 @default.
- W2066819656 hasConceptScore W2066819656C121332964 @default.
- W2066819656 hasConceptScore W2066819656C147120987 @default.
- W2066819656 hasConceptScore W2066819656C178790620 @default.