FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2026663727> ?p ?o ?g. }

• W2026663727 endingPage "9013" @default.
• W2026663727 startingPage "9004" @default.
• W2026663727 abstract "The Pr3+ ion in Cs2NaPr(NO2)6 is situated at a site of Th symmetry with 12-coordination to O atoms of bidentate nitrito groups. First-principles calculations of the vibrational modes of the complex were carried out using the density functional theory with the generalized gradient approximation Perdew–Burke–Ernzerhof exchange-correlation functional. The calculations that treated the Pr3+ 4f electrons as valence electrons showed better agreement with the experimental vibrational assignments compared with those treating the 4f electrons a part of the inner core. The 1D2 → 3H4 emission spectra of Cs2NaPr(NO2)6 at 7 K enabled assignments to be made for the crystal-field (CF) levels of the ground-state multiplet. The emission of the dilute system Cs2NaY(NO2)6:Pr3+ was dominated by NO2– triplet emission, which was quenched at elevated temperatures by energy transfer to trace Eu3+ impurity. From magnetic dipole calculations and the vibronic fingerprint, detailed assignments are given for the complex 10 K electronic absorption spectrum of Cs2NaPr(NO2)6 between 3940 and 18800 cm–1, and the derived Pr3+ 4f2 energy-level data set has been fitted by calculation. By comparison with Cs2NaPrCl6, the fourth-order CF parameter in Cs2NaPr(NO2)6 is relatively small so that interaction with a 4fnp configuration is not important. From the NO2– absorption bands above 20 000 cm–1, the N–O bond length change upon excitation is small, whereas the angle O–N–O opens by more than 10° in the triplet state. By contrast to the NO2– internal vibration frequencies, which except for the wagging mode show only minor changes with the environment, the triplet-state energy shows a linear decrease with an increase of the lanthanide (Ln3+) ionic radius in Cs2NaLn(NO2)6. Using the eigenvectors from the energy-level fit, the variation of the inverse magnetic susceptibility with temperature has been calculated between 1 and 100 K and the values are somewhat lower than those from experiment." @default.
• W2026663727 created "2016-06-24" @default.
• W2026663727 creator A5040698159 @default.
• W2026663727 creator A5045048134 @default.
• W2026663727 creator A5060219252 @default.
• W2026663727 creator A5084853487 @default.
• W2026663727 date "2011-08-10" @default.
• W2026663727 modified "2023-09-23" @default.
• W2026663727 title "Experimental and Theoretical Studies of the Vibrational and Electronic Spectra of a Lanthanide Ion at a Site of <i>T</i>_<i>h</i> Symmetry: Pr³⁺ in Cs₂NaPr(NO₂)₆" @default.
• W2026663727 cites W1492588585 @default.
• W2026663727 cites W1508231562 @default.
• W2026663727 cites W1967294979 @default.
• W2026663727 cites W1970127494 @default.
• W2026663727 cites W1976417268 @default.
• W2026663727 cites W1979544533 @default.
• W2026663727 cites W1981368803 @default.
• W2026663727 cites W1982019477 @default.
• W2026663727 cites W1985467935 @default.
• W2026663727 cites W1985720852 @default.
• W2026663727 cites W1990597964 @default.
• W2026663727 cites W1991308946 @default.
• W2026663727 cites W1993980724 @default.
• W2026663727 cites W1996150631 @default.
• W2026663727 cites W1999838191 @default.
• W2026663727 cites W2002072399 @default.
• W2026663727 cites W2024136726 @default.
• W2026663727 cites W2024544480 @default.
• W2026663727 cites W2026028535 @default.
• W2026663727 cites W2032686964 @default.
• W2026663727 cites W2033644186 @default.
• W2026663727 cites W2036629108 @default.
• W2026663727 cites W2045443663 @default.
• W2026663727 cites W2052484213 @default.
• W2026663727 cites W2056702110 @default.
• W2026663727 cites W2058743959 @default.
• W2026663727 cites W2062189907 @default.
• W2026663727 cites W2065271686 @default.
• W2026663727 cites W2074104161 @default.
• W2026663727 cites W2074385890 @default.
• W2026663727 cites W2080597094 @default.
• W2026663727 cites W2083222334 @default.
• W2026663727 cites W2083999462 @default.
• W2026663727 cites W2085459763 @default.
• W2026663727 cites W2092616031 @default.
• W2026663727 cites W2158891932 @default.
• W2026663727 cites W2494715025 @default.
• W2026663727 cites W2963915605 @default.
• W2026663727 cites W3004856358 @default.
• W2026663727 cites W4252061175 @default.
• W2026663727 cites W73890803 @default.
• W2026663727 doi "https://doi.org/10.1021/ic201225k" @default.
• W2026663727 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21830796" @default.
• W2026663727 hasPublicationYear "2011" @default.
• W2026663727 type Work @default.
• W2026663727 sameAs 2026663727 @default.
• W2026663727 citedByCount "7" @default.
• W2026663727 countsByYear W20266637272012 @default.
• W2026663727 countsByYear W20266637272013 @default.
• W2026663727 countsByYear W20266637272014 @default.
• W2026663727 countsByYear W20266637272018 @default.
• W2026663727 crossrefType "journal-article" @default.
• W2026663727 hasAuthorship W2026663727A5040698159 @default.
• W2026663727 hasAuthorship W2026663727A5045048134 @default.
• W2026663727 hasAuthorship W2026663727A5060219252 @default.
• W2026663727 hasAuthorship W2026663727A5084853487 @default.
• W2026663727 hasConcept C119824511 @default.
• W2026663727 hasConcept C121332964 @default.
• W2026663727 hasConcept C145148216 @default.
• W2026663727 hasConcept C147120987 @default.
• W2026663727 hasConcept C147597530 @default.
• W2026663727 hasConcept C152365726 @default.
• W2026663727 hasConcept C168900304 @default.
• W2026663727 hasConcept C178790620 @default.
• W2026663727 hasConcept C184779094 @default.
• W2026663727 hasConcept C185592680 @default.
• W2026663727 hasConcept C201770740 @default.
• W2026663727 hasConcept C38649801 @default.
• W2026663727 hasConcept C62520636 @default.
• W2026663727 hasConcept C69523127 @default.
• W2026663727 hasConcept C86025842 @default.
• W2026663727 hasConceptScore W2026663727C119824511 @default.
• W2026663727 hasConceptScore W2026663727C121332964 @default.
• W2026663727 hasConceptScore W2026663727C145148216 @default.
• W2026663727 hasConceptScore W2026663727C147120987 @default.
• W2026663727 hasConceptScore W2026663727C147597530 @default.
• W2026663727 hasConceptScore W2026663727C152365726 @default.
• W2026663727 hasConceptScore W2026663727C168900304 @default.
• W2026663727 hasConceptScore W2026663727C178790620 @default.
• W2026663727 hasConceptScore W2026663727C184779094 @default.
• W2026663727 hasConceptScore W2026663727C185592680 @default.
• W2026663727 hasConceptScore W2026663727C201770740 @default.
• W2026663727 hasConceptScore W2026663727C38649801 @default.
• W2026663727 hasConceptScore W2026663727C62520636 @default.
• W2026663727 hasConceptScore W2026663727C69523127 @default.
• W2026663727 hasConceptScore W2026663727C86025842 @default.
• W2026663727 hasIssue "18" @default.
• W2026663727 hasLocation W20266637271 @default.
• W2026663727 hasLocation W20266637272 @default.

• next