Parameters for the RM1 Quantum Chemical Calculation of Complexes of the Trications of Thulium, Ytterbium and Lutetium.

Autor: Manoel A M Filho, José Diogo L Dutra, Gerd B Rocha, Alfredo M Simas, Ricardo O Freire

Publikováno v: PLoS ONE, Vol 11, Iss 5, p e0154500 (2016)

The RM1 quantum chemical model for the calculation of complexes of Tm(III), Yb(III) and Lu(III) is advanced. Subsequently, we tested the models by fully optimizing the geometries of 126 complexes. We then compared the optimized structures with known

Externí odkaz: https://doaj.org/article/efc0481a18d14762b382a5360a8e5db3

Bright and efficient red emitting electroluminescent devices fabricated from ternary europium complexes

Autor: José Diogo L. Dutra, Weidong Sun, Rashid Ilmi, Wai Yeung Wong, Liang Zhou, Paul R. Raithby, Willyan F. Oliveira, Muhammad S. Khan

Publikováno v: Journal of Materials Chemistry C. 8:5600-5612

The photophysical properties of two previously synthesized, highly efficient, bright red emitting complexes [Eu(btfa)3DPEPO] (CIE, 0.672; 0.326) (Eu-1) and [Eu(nta)3DPEPO] (CIE, 0.673; 0.326) (Eu-2) (btfa = 4,4,4-trifluoro-1-phenyl-1,3-butanedione, n

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::64850d4278fc33e2b6f54cf60e8f1681
https://doi.org/10.1039/d0tc00749h

Synthesis and Photophysical Properties of Ternary β-Diketonate Europium(III) Complexes Incorporating Bipyridine and its Derivatives

Autor: Rashid Ilmi, Paul R. Raithby, Idris Juma Al-Busaidi, José Diogo L. Dutra, Liang Zhou, Danyang Zhang, Wai Yeung Wong, Muhammad S. Khan, Willyan F. Oliveira, Nawal K. Al Rasbi

Publikováno v: Al-Busaidi, I J, Ilmi, R, Zhang, D, Dutra, J D L, Oliveira, W, Al-Rasbi, N K, Zhou, L, Wong, W-Y, Raithby, P & Khan, M 2022, ' Synthesis and Photophysical Properties of Ternary β-Diketonate Europium(III) Complexes Incorporating Bipyridine and its Derivatives ', Dyes and Pigments, vol. 197, 109879 . https://doi.org/10.1016/j.dyepig.2021.109879

Two new octa-coordinated ternary europium(III) complexes of the type [Eu(btfa)3(Br2-bpy)] (Eu-1) and [Eu(btfa)3(PhE2-bpy)] (Eu-2) (where btfa = 4,4,4-trifluoro-1-phenyl-1,3-butanedione, Br2-bpy = 5,5′-dibromo-2,2′-bipyridine, PhE2-bpy 5,5′-bis(

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eb1e4abbd144d2becdf8702329ca8533
https://purehost.bath.ac.uk/ws/files/226364548/Author_accepted_MS_Dyes_and_Pigments.pdf

Semiempirical quantum chemistry model for the lanthanides: RM1 (Recife Model 1) parameters for dysprosium, holmium and erbium.

Autor: Manoel A M Filho, José Diogo L Dutra, Gerd B Rocha, Alfredo M Simas, Ricardo O Freire

Publikováno v: PLoS ONE, Vol 9, Iss 1, p e86376 (2014)

Complexes of dysprosium, holmium, and erbium find many applications as single-molecule magnets, as contrast agents for magnetic resonance imaging, as anti-cancer agents, in optical telecommunications, etc. Therefore, the development of tools that can

Externí odkaz: https://doaj.org/article/f301f448249548a68e09b266fa8e7dbe

Utilization of a Pt(ii) di-yne chromophore incorporating a 2,2'-bipyridine-5,5'-diyl spacer as a chelate to synthesize a green and red emitting d-f-d heterotrinuclear complex

Autor: Rashid Ilmi, José Diogo L. Dutra, Nawal K. Al Rasbi, Paul R. Raithby, Muhammad S. Khan, Willyan F. Oliveira, Idris Juma Al-Busaidi, Ashanul Haque, Frank Marken

Publikováno v: Al-Busaidi, I J, Ilmi, R, Dutra, J D L, Oliveira, W, Haque, A, Al-Rasbi, N K, Marken, F, Raithby, P & Khan, M 2021, ' Utilization of a Pt(II) di-yne Chromophore incorporating a 2,2ʹ-bipyridine-5,5ʹ-diyl spacer as a Chelate to Synthesize a Green and Red Emitting d-f-d Heterotrinuclear Complex ', Dalton Transactions, vol. 50, no. 4, pp. 1465-1477 . https://doi.org/10.1039/D0DT04198J, https://doi.org/10.1039/d0dt04198j

A new heterotrinuclear (d-f-d) complex [Eu(btfa)31c] (btfa = 4,4,4-trifluoro-1-phenyl-1,3-butanedione and 1c = [(Ph)(Et3P)2Pt-C[triple bond, length as m-dash]C-R-C[triple bond, length as m-dash]C-Pt(Et3P)2(Ph)] (R = 2,2'-bipyridine-5,5'-diyl) has bee

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::74014cabee7a71037a22bbbcb398f2c1
https://pubmed.ncbi.nlm.nih.gov/33496713