FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1979520024> ?p ?o ?g. }

• W1979520024 endingPage "1605" @default.
• W1979520024 startingPage "1597" @default.
• W1979520024 abstract "A series of tetraphenylporphyrins appended at the β-pyrrolic position with an ethynylphenylene- or ethynylpyridine-substituent have been subjected to spectroscopic and density functional theory (DFT) analyses. The mean absolute deviation between corresponding experimental and DFT-derived vibrational spectra is up to 10.2 cm(-1), suggesting that the DFT B3LYP/6-31G(d) method provides an accurate model of the β-substituted porphyrin systems. The configuration interactions that give rise to prominent electronic absorptions have been calculated using time-dependant DFT (TD-DFT) and have been rationalized with reference to the energy and topology of DFT calculated molecular orbitals. As the electron withdrawing capacity of the β-substituent increases the LUMO orbital gains appreciable amplitude over the substituent moiety and is stabilised. This represents a departure from the assumptions underpinning the Gouterman four-orbital model, resulting in atypical electronic absorption spectra. This phenomenon is also manifested in the enhancement patterns of the resonance Raman spectra insofar as B-band excitation engenders an enhancement of substituent based modes. These observations demonstrate that the β-substituent exerts an appreciable electronic influence on the porphyrin π-electron system and provides a means of introducing charge-transfer character to prominent electronic transitions." @default.
• W1979520024 created "2016-06-24" @default.
• W1979520024 creator A5005223524 @default.
• W1979520024 creator A5026642716 @default.
• W1979520024 creator A5044820251 @default.
• W1979520024 creator A5054571238 @default.
• W1979520024 creator A5075147918 @default.
• W1979520024 date "2011-01-01" @default.
• W1979520024 modified "2023-10-18" @default.
• W1979520024 title "Spectroscopic and computational study of β-ethynylphenylene substituted zinc and free-base porphyrins" @default.
• W1979520024 cites W1615871248 @default.
• W1979520024 cites W1967279749 @default.
• W1979520024 cites W1970366056 @default.
• W1979520024 cites W1972558136 @default.
• W1979520024 cites W1975415562 @default.
• W1979520024 cites W1977364344 @default.
• W1979520024 cites W1984718979 @default.
• W1979520024 cites W1984967704 @default.
• W1979520024 cites W1986273289 @default.
• W1979520024 cites W1987052628 @default.
• W1979520024 cites W1989289343 @default.
• W1979520024 cites W1994159580 @default.
• W1979520024 cites W1996829882 @default.
• W1979520024 cites W1997590716 @default.
• W1979520024 cites W2000222181 @default.
• W1979520024 cites W2005693682 @default.
• W1979520024 cites W2007998484 @default.
• W1979520024 cites W2009074477 @default.
• W1979520024 cites W2017220615 @default.
• W1979520024 cites W2020130219 @default.
• W1979520024 cites W2020680181 @default.
• W1979520024 cites W2023303947 @default.
• W1979520024 cites W2026450877 @default.
• W1979520024 cites W2031276429 @default.
• W1979520024 cites W2041900375 @default.
• W1979520024 cites W2054737018 @default.
• W1979520024 cites W2062832090 @default.
• W1979520024 cites W2064582942 @default.
• W1979520024 cites W2069044397 @default.
• W1979520024 cites W2071341559 @default.
• W1979520024 cites W2071838602 @default.
• W1979520024 cites W2073571812 @default.
• W1979520024 cites W2079674618 @default.
• W1979520024 cites W2084147979 @default.
• W1979520024 cites W2088252552 @default.
• W1979520024 cites W2106437986 @default.
• W1979520024 cites W2106824077 @default.
• W1979520024 cites W2129579634 @default.
• W1979520024 cites W2132635477 @default.
• W1979520024 cites W2153725699 @default.
• W1979520024 cites W2153818570 @default.
• W1979520024 cites W2162847110 @default.
• W1979520024 cites W4248456721 @default.
• W1979520024 doi "https://doi.org/10.1039/c0cp01113d" @default.
• W1979520024 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21125110" @default.
• W1979520024 hasPublicationYear "2011" @default.
• W1979520024 type Work @default.
• W1979520024 sameAs 1979520024 @default.
• W1979520024 citedByCount "38" @default.
• W1979520024 countsByYear W19795200242012 @default.
• W1979520024 countsByYear W19795200242013 @default.
• W1979520024 countsByYear W19795200242014 @default.
• W1979520024 countsByYear W19795200242015 @default.
• W1979520024 countsByYear W19795200242016 @default.
• W1979520024 countsByYear W19795200242017 @default.
• W1979520024 countsByYear W19795200242018 @default.
• W1979520024 countsByYear W19795200242019 @default.
• W1979520024 countsByYear W19795200242020 @default.
• W1979520024 countsByYear W19795200242021 @default.
• W1979520024 countsByYear W19795200242023 @default.
• W1979520024 crossrefType "journal-article" @default.
• W1979520024 hasAuthorship W1979520024A5005223524 @default.
• W1979520024 hasAuthorship W1979520024A5026642716 @default.
• W1979520024 hasAuthorship W1979520024A5044820251 @default.
• W1979520024 hasAuthorship W1979520024A5054571238 @default.
• W1979520024 hasAuthorship W1979520024A5075147918 @default.
• W1979520024 hasBestOaLocation W19795200242 @default.
• W1979520024 hasConcept C116858620 @default.
• W1979520024 hasConcept C121332964 @default.
• W1979520024 hasConcept C139210041 @default.
• W1979520024 hasConcept C139358910 @default.
• W1979520024 hasConcept C14158195 @default.
• W1979520024 hasConcept C147120987 @default.
• W1979520024 hasConcept C147597530 @default.
• W1979520024 hasConcept C147789679 @default.
• W1979520024 hasConcept C152365726 @default.
• W1979520024 hasConcept C178790620 @default.
• W1979520024 hasConcept C184779094 @default.
• W1979520024 hasConcept C185592680 @default.
• W1979520024 hasConcept C189394030 @default.
• W1979520024 hasConcept C2776371256 @default.
• W1979520024 hasConcept C2776568683 @default.
• W1979520024 hasConcept C2778689049 @default.
• W1979520024 hasConcept C2779480358 @default.
• W1979520024 hasConcept C32909587 @default.
• W1979520024 hasConcept C40003534 @default.
• W1979520024 hasConcept C62520636 @default.
• W1979520024 hasConcept C71240020 @default.

• next