Electronic structure of tris-dibenzoylmethanates of Sc, Y, La rare-earth elements from the results of studies by X-ray photoelectron spectroscopy and density functional theory

Korochentsev, V. V.; Vovna, V. I.; Kalinovskaya, I. V.; Komissarov, A. A.; Dotsenko, A. A.; Shurygin, A. V.; Мирочник, А. Г.; Сергиенко, В. И.

doi:10.1134/s0022476614060080

Cited by 13 publications

(4 citation statements)

References 12 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…%, and the high-resolution N 1s spectrum of Y 1 /NC can be deconvoluted into four peaks with pyridine N (398.6 eV) as the dominant nitrogen (Figure S6). The valence state of Y atoms in Y 1 /NC is determined to be approximately +3, consistent with the XANES results. − …”

Section: Results and Discussionsupporting

confidence: 80%

Rare Earth Single-Atom Catalysts for Nitrogen and Carbon Dioxide Reduction

et al. 2020

View full text Add to dashboard Cite

Single-atom catalysts (SACs) have attracted much attention owning to their high catalytic properties. Herein, yttrium and scandium rare earth SACs are successfully synthesized on a carbon support (Y1/NC and Sc1/NC). Different from the well-known M–N4 structure of M–N–C (M = Fe, Co) catalysts, Sc and Y atoms with a large atomic radius tend to be anchored to the large-sized carbon defects through six coordination bonds of nitrogen and carbon. Although Y- and Sc-based nanomaterials are generally inactive to room-temperature electrochemical reactions, Y1/NC and Sc1/NC SACs exhibit catalytic activities to nitrogen reduction reaction and carbon dioxide reduction reaction due to the modulation of the local electronic structure of Y/Sc single atoms by N and C coordination. The catalytic functions of rare earth single atoms not only demonstrate the magical effect of SACs but also promote the application of rare earth catalysts in room-temperature electrochemical reactions.

show abstract

Section: Results and Discussionsupporting

confidence: 80%

Rare Earth Single-Atom Catalysts for Nitrogen and Carbon Dioxide Reduction

et al. 2020

View full text Add to dashboard Cite

show abstract

“…As a result, the performance of the white-light emitting devices based on various rare earth organic complexes is unstable. Therefore, the novel rare earth organic complexes, which can directly emit white fluorescence, have been received considerable interests [10][11][12].…”

Section: Introductionmentioning

confidence: 99%

Influence of different ligands on luminescence intensity and emission color of Dy(Lc)3phen(Lc = AA, MAA, BA, SA)

Zhang

Shen

Huang

2015

J Mater Sci: Mater Electron

View full text Add to dashboard Cite

A series of dysprosium organic complexes with different carboxylic acid ligands Dy(Lc) 3 phen(Lc = AA, MAA, BA, SA) were synthesized. These dysprosium organic complexes were characterized by ethylene diamine tetraacetic acid titrimetric method, X-ray diffraction, fourier transform infrared spectoscopy, thermal analysis, ultraviolet absorption spectra and photoluminescence spectra to study their phase composition, physical properties and luminescent properties. The results showed that all the dysprosium organic complexes were well crystallized and exhibited good thermal stability. The luminescence properties of these dysprosium organic complexes were mainly depended on the structure of different carboxylic acid ligands. The fluorescence intensity of the dysprosium organic complexes was Dy(BA) 3 phen [ Dy 2 (SA) 3 phen 2 [ Dy(AA) 3 phen [ Dy(MAA) 3 phen. The fluorescent intensity of Dy(BA) 3 phen was higher than other dysprosium organic complexes, and the chromaticity coordinate of Dy(BA) 3 phen located in the white light area. The as-prepared dysprosium organic complexes showed excellent luminescence properties.

show abstract

“…Richer and Sandorfy [14] published the He(I) photoelectron spectra and vacuum UV absorption spectra of twelve Ln(Fot) 3 complexes (in the ligand: R = C 3 F 7 and R 2 = C(CH 3 ) 3 ). The X-ray photoelectron spectra of tris-dibenzoylmetanates М(Dbm) 3 (M = Sc, Y, La) with DFT-based quantum chemical modeling were recently published in [15]. Previously, we obtained He(I) UV photoelectron spectra of Ln(Acac) 3 [16] and tris-dipivaloylmetanates Ln(Dpm) 3 [17,18], where Ln are elements of the second half of the series; the first X-ray photoelectron spectra of the valence and core levels of Eu(Acac) 3 and a series of substituted ones were published in [19,20].…”

mentioning

confidence: 99%

“…The spectra of the relatively volatile complexes with R = CH 3 , C(CH 3 ) 3 , and CF 3 substituents are studied in vapors, using He(I) radiation; those of Ln(Dbm) 3 complexes are studied in the condensed phase, using MgK α radiation. Along with Eu(Dbm) 3 and Lu(Dbm) 3 , this study considers the spectrum and structure of La(Dbm) 3 [15].…”

mentioning

confidence: 99%

Ultraviolet and X-ray photoelectron spectra and the electronic structure of Eu(III) and Lu(III) β-diketonate complexes

et al. 2015

Self Cite

View full text Add to dashboard Cite

A. V. Shurygin, V. V. Korochentsev, I. S. Os'mushko, A. I. Cherednichenko, V. A. Yashin, and V. I. Vovna UDC 539.194 Ultraviolet (UV) and X-ray photoelectron spectroscopy and quantum chemistry methods (DFT) are used to study tris-β-diketonates of the rare-earth metals europium and lutetium. New information is obtained on the electronic structure of the complexes. The geometric and electronic structures of the compounds are calculated. The nature of chemical bonding in the compounds is analyzed. The quantum-chemical studies reveal patterns in the variations of the electronic structure, which depend on the complexing agent, and determine the effects of the substitution of C(CН) 3 and CF 3 for CН 3 -groups in the ligands. Band identification is obtained for the UV (in the gaseous phase) and X-ray photoelectron (in the condensed state) spectra of Eu and Lu tris-dibenzoylmetanates.Chelate complexes of trivalent lanthanide ions with β-diketonate ligands are increasingly used in various fields of science and technology, such as light-conversion materials and luminophores, in optoelectronics, in light sources, etc. [1-7]. The quantum yield of luminescence in the visible and near infrared regions is in large part dependent on the ligands and may vary by two to three orders of magnitude, depending on the effectiveness of radiationless transitions from the ligands to the metal. The excitation energy transfer processes depend, firstly, on the energy range between the lowest triplet state of the ligands and the excited state of f electrons and, secondly, on the localization of excitation on the functional groups of the ligands. Studies on the relationship between the complexes' spectral and luminescent properties and their electronic structure and the orbital nature of chemical bonds allow researchers to plan the synthesis of new compounds with the desired optical properties.The most informative methods in the study of the electronic structure of chemical compounds are UV photoelectron spectroscopy (UPS) of vapors, X-ray photoelectron spectroscopy (XPS) of the condensed phase, and X-ray emission spectroscopy combined with quantum chemical calculations [8][9][10][11]. There are few UPS studies of vapors of tris-β-diketonate lanthanide complexes. The possibilities of studying the UV photoelectron spectra of vapors of tris-acetylacetonates Ln(Асас) 3 and other coordination-nonsaturated complexes with diketonate ligands is limited by the possibilities of their conversion into the gaseous phase without visible destruction. Recently, a brief communication [12] was published on a He(I)

show abstract

Electronic structure of tris-dibenzoylmethanates of Sc, Y, La rare-earth elements from the results of studies by X-ray photoelectron spectroscopy and density functional theory

Cited by 13 publications

References 12 publications

Rare Earth Single-Atom Catalysts for Nitrogen and Carbon Dioxide Reduction

Rare Earth Single-Atom Catalysts for Nitrogen and Carbon Dioxide Reduction

Influence of different ligands on luminescence intensity and emission color of Dy(Lc)3phen(Lc = AA, MAA, BA, SA)

Ultraviolet and X-ray photoelectron spectra and the electronic structure of Eu(III) and Lu(III) β-diketonate complexes

Contact Info

Product

Resources

About