Výsledky vyhledávání - "Hélcio J. Batista"

Can a gas phase contact ion pair containing a hydrocarbon carbocation be formed in the ground state?

Autor: José Rayan Eraldo Souza Araújo, Silmar A. do Monte, Elizete Ventura, Railton B. de Andrade, Hélcio J. Batista

Publikováno v: RSC advances. 11(7)

So far, no conclusive evidence of a ground-state contact ion-pair containing a hydrocarbon carbocation has been given in the gas phase. Due to the very high stability of the 1,2:4,5-dibenzotropylium (or dibenzo[a,d]tropylium) carbocation, we suggest

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e19bf244e602a13f2dbb2fcaaba0483a
https://pubmed.ncbi.nlm.nih.gov/35424376

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Proposal of Calculation Protocols for Implicit Solvation Methods in Conformational Analysis Involving the Gauche Effect

Autor: Hélcio J. Batista, Keyla Mirelly Nunes de Souza, Juliana Angeiras Batista da Silva, Carlos R. M. Cavalcante, Filipe B. de Lima

Publikováno v: Revista Processos Químicos. 9:118-121

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0d45cf31c4a32854fa868f5353ebaa9c
https://doi.org/10.19142/rpq.v9i18.272

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Eu(III) complex luminescence behavior upon chlorine substitution in the 1,10-phenanthroline ligand: A theoretical and experimental study

Autor: Hélcio J. Batista, Severino Alves, Mônica F. Belian, Gilberto F. de Sá, Ana Gabriela S. Bezerra, Wagner Eduardo Da Silva

Publikováno v: Chemical Physics. 381:29-34

In this work, it were performed computational design and synthesis of a new luminescent Eu(III) complex with the usual 1,10-phenanthroline ligand substituted in the 4 and 7 positions by chlorine atoms, which one has shown a higher luminescent output

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a1ab6e54d052332bee52566d2d7de866
https://doi.org/10.1016/j.chemphys.2011.01.005

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Theoretical and experimental photophysical studies of the tris(4,4,4-trifluoro-1-(1-naphthyl)-1,3-butanedionate) (2,2′-bipiridyl)-europium(III)

Autor: G.F. de Sá, Hélcio J. Batista, C. de Mello Donegá, S. Alves, Ricardo L. Longo, Larry C. Thompson, S.P. Vila Nova

Publikováno v: Journal of Luminescence. 118:83-90

The complexes tris(4,4,4-Trifluoro-1-(1-naphthyl)-1,3-butanedionate) (2,2′-bipiridyl) Ln(III), Ln(tan) 3 bipy, where Ln(III)=Eu 3+ and Gd 3+ have been synthesized, characterized and their photophysical properties (absorption, excitation and lumines

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5d6c42fe6668bc1107a6440a5ceee5bb
https://doi.org/10.1016/j.jlumin.2005.07.001

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Improved point-charge model within the INDO/S-CI method for describing the ligand excited states of lanthanide coordination compounds

Autor: Hélcio J. Batista, Ricardo L. Longo

Publikováno v: International Journal of Quantum Chemistry. 90:924-932

Due to the spatial extent of the 5s and 5p filled orbitals of lanthanide ions, the shielding of the nuclear charge is not perfect at close distances to the ion. Thus, ligand atoms should experience different effective charge depending upon their dist

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1ec8ecba9842c6fc04f78f779460fc94
https://doi.org/10.1002/qua.10031

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Synthesis, X-ray Structure, Spectroscopic Characterization, and Theoretical Prediction of the Structure and Electronic Spectrum of Eu(btfa)3·bipy and an Assessment of the Effect of Fluorine as a β-Diketone Substituent on the Ligand−Metal Energy Transfer Process

Autor: Nao K. Ito, Gilberto F. de Sá, Hélcio J. Batista, Larry C. Thompson, Alfredo M. Simas, Antônio V.M. de Andrade, Ricardo L. Longo

Publikováno v: Inorganic Chemistry. 37:3542-3547

The 2,2'-dipyridyl adducts of two europium beta-diketonate complexes, Eu(btfa)(3).bipy [btfa = 4,4,4-trifluoro-1-phenyl-2,4-butanedione, bipy = 2,2'-dipyridyl] and Eu(bzac)(3).bipy [bzac = 1-phenyl-2,4-butanedione], have been prepared. The crystal st

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::94c65d1d4351d9e0e47954eae5970dc6
https://doi.org/10.1021/ic971602v

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Synthesis, crystal structure determination and theoretical prediction of the structure and electronic spectrum of Eu(btfa)3bipy

Autor: Gilberto F. de Sá, Hélcio J. Batista, Alfredo M. Simas, Antônio V.M. de Andrade, Larry C. Thompson, Ricardo L. Longo

Publikováno v: Journal of Luminescence. :159-161

The adduct Eu(btfa) 3 bipy ( btfa = 4,4,4-trifluoro-1-phenyl-2,4-butanedione, bipy = 2,2'-bipyridine) was synthesized and its X-ray structure was determined. The UV absorption spectra of the ligands and complex were obtained in ethanolic solution. Th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::acfab86de92089ef39e60cf2b625f784
https://doi.org/10.1016/s0022-2313(96)00158-5

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