Matches in SemOpenAlex for { <https://semopenalex.org/work/W2064816042> ?p ?o ?g. }
- W2064816042 endingPage "965" @default.
- W2064816042 startingPage "957" @default.
- W2064816042 abstract "In this paper, we have performed the optimized structures of the red emitting material, 4-(dicyanomethylene)-2-methyl-6-[p-(dimethyl amino) styryl]-4H-pyran (DCM), with different polarity solvent environments by using the density functional theory (DFT) method, B3LYP/6-31G*. The time-dependent density functional theory (TD-DFT) and the polarizable continuum model (PCM) have been used to obtain the optical properties in the solvent environment. It has been observed that when the solvent polarity increases, the DCM molecule exhibits the red shift in the maximum absorption wavelength [Formula: see text] and enhances the oscillator strength (f). The solvent polarity also enhances the electron transfer ability from the electron-donating dimethylamine group (-N(CH 3 ) 2 ) to the electron-withdrawing =C(CN) 2 group. The S 0 → S 1 transition of DCM is found to be π–π*. The maximum absorption wavelengths [Formula: see text] of different solvent environments are found to be consistent with the reported experimental results." @default.
- W2064816042 created "2016-06-24" @default.
- W2064816042 creator A5067778290 @default.
- W2064816042 creator A5086082216 @default.
- W2064816042 date "2006-12-01" @default.
- W2064816042 modified "2023-09-25" @default.
- W2064816042 title "DFT-PCM STUDIES OF THE SOLVENT EFFECTS ON THE ABSORPTION PROPERTIES OF DCM" @default.
- W2064816042 cites W1967901058 @default.
- W2064816042 cites W1968760701 @default.
- W2064816042 cites W1970975163 @default.
- W2064816042 cites W1971706851 @default.
- W2064816042 cites W1976953731 @default.
- W2064816042 cites W1983699273 @default.
- W2064816042 cites W1987897767 @default.
- W2064816042 cites W1993392258 @default.
- W2064816042 cites W2012173217 @default.
- W2064816042 cites W2017023264 @default.
- W2064816042 cites W2017475770 @default.
- W2064816042 cites W2022131142 @default.
- W2064816042 cites W2033405767 @default.
- W2064816042 cites W2034487955 @default.
- W2064816042 cites W2043077686 @default.
- W2064816042 cites W2053680614 @default.
- W2064816042 cites W2061352573 @default.
- W2064816042 cites W2063012508 @default.
- W2064816042 cites W2072131283 @default.
- W2064816042 cites W2077188122 @default.
- W2064816042 cites W2077541768 @default.
- W2064816042 cites W2080150773 @default.
- W2064816042 cites W2095474104 @default.
- W2064816042 cites W2095474273 @default.
- W2064816042 cites W2097878523 @default.
- W2064816042 cites W2143156602 @default.
- W2064816042 cites W2150935382 @default.
- W2064816042 doi "https://doi.org/10.1142/s0219633606002672" @default.
- W2064816042 hasPublicationYear "2006" @default.
- W2064816042 type Work @default.
- W2064816042 sameAs 2064816042 @default.
- W2064816042 citedByCount "2" @default.
- W2064816042 countsByYear W20648160422016 @default.
- W2064816042 countsByYear W20648160422021 @default.
- W2064816042 crossrefType "journal-article" @default.
- W2064816042 hasAuthorship W2064816042A5067778290 @default.
- W2064816042 hasAuthorship W2064816042A5086082216 @default.
- W2064816042 hasConcept C119824511 @default.
- W2064816042 hasConcept C121332964 @default.
- W2064816042 hasConcept C125287762 @default.
- W2064816042 hasConcept C1276947 @default.
- W2064816042 hasConcept C132439834 @default.
- W2064816042 hasConcept C147597530 @default.
- W2064816042 hasConcept C147789679 @default.
- W2064816042 hasConcept C1491633281 @default.
- W2064816042 hasConcept C152365726 @default.
- W2064816042 hasConcept C159985019 @default.
- W2064816042 hasConcept C178790620 @default.
- W2064816042 hasConcept C185592680 @default.
- W2064816042 hasConcept C192562407 @default.
- W2064816042 hasConcept C20853536 @default.
- W2064816042 hasConcept C2776122248 @default.
- W2064816042 hasConcept C2777361361 @default.
- W2064816042 hasConcept C2780471494 @default.
- W2064816042 hasConcept C2780825948 @default.
- W2064816042 hasConcept C2992820272 @default.
- W2064816042 hasConcept C32909587 @default.
- W2064816042 hasConcept C4839761 @default.
- W2064816042 hasConcept C55493867 @default.
- W2064816042 hasConcept C62520636 @default.
- W2064816042 hasConcept C67218372 @default.
- W2064816042 hasConcept C75473681 @default.
- W2064816042 hasConcept C98444146 @default.
- W2064816042 hasConcept C99191460 @default.
- W2064816042 hasConceptScore W2064816042C119824511 @default.
- W2064816042 hasConceptScore W2064816042C121332964 @default.
- W2064816042 hasConceptScore W2064816042C125287762 @default.
- W2064816042 hasConceptScore W2064816042C1276947 @default.
- W2064816042 hasConceptScore W2064816042C132439834 @default.
- W2064816042 hasConceptScore W2064816042C147597530 @default.
- W2064816042 hasConceptScore W2064816042C147789679 @default.
- W2064816042 hasConceptScore W2064816042C1491633281 @default.
- W2064816042 hasConceptScore W2064816042C152365726 @default.
- W2064816042 hasConceptScore W2064816042C159985019 @default.
- W2064816042 hasConceptScore W2064816042C178790620 @default.
- W2064816042 hasConceptScore W2064816042C185592680 @default.
- W2064816042 hasConceptScore W2064816042C192562407 @default.
- W2064816042 hasConceptScore W2064816042C20853536 @default.
- W2064816042 hasConceptScore W2064816042C2776122248 @default.
- W2064816042 hasConceptScore W2064816042C2777361361 @default.
- W2064816042 hasConceptScore W2064816042C2780471494 @default.
- W2064816042 hasConceptScore W2064816042C2780825948 @default.
- W2064816042 hasConceptScore W2064816042C2992820272 @default.
- W2064816042 hasConceptScore W2064816042C32909587 @default.
- W2064816042 hasConceptScore W2064816042C4839761 @default.
- W2064816042 hasConceptScore W2064816042C55493867 @default.
- W2064816042 hasConceptScore W2064816042C62520636 @default.
- W2064816042 hasConceptScore W2064816042C67218372 @default.
- W2064816042 hasConceptScore W2064816042C75473681 @default.
- W2064816042 hasConceptScore W2064816042C98444146 @default.
- W2064816042 hasConceptScore W2064816042C99191460 @default.