LUMPAC

Lanthanide Luminescence Software Package - 稀土发光软件

 

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Recent Publications

 

Chemical Partition of the Radiative Decay Rate of Luminescence of Europium Complexes.

Scientific Reports, v.6, p. 21204, 2016.

DOI: 10.1038/srep21204.

 

Europium Luminescence: Electronic Densities and Superdelocalizabilities for a Unique Adjustment of Theoretical Intensity Parameters.

Scientific Reports, v.5, p. 13695, 2015.

DOI: 10.1038/srep13695.

 

LUMPAC: lanthanide luminescence software: Efficient and user friendly.

Journal of Computational Chemistry, v.35, p. 772-775, 2014.

DOI: 10.1002/jcc.23542.

 

Theoretical Methodologies for Calculation of Judd-Ofelt Intensity Parameters of PolyEuropium Systems.

Journal of Physical Chemistry A, v. 117, p.14095-14099, 2013.

DOI: 10.1021/jp4098809.

 

Theoretical tools for the calculation of the photoluminescent properties of europium systems: A case study.

J. Photochem. Photobiol. A, v. 256, p. 29-35,

DOI: 10.1016/j.jphotochem.2013.01.016 .

 

 

Recent publications citing Lumpac Software:

 

 

Structure elucidation by sparkle/RM1, effect of lanthanide contraction and photophysical properties of lanthanide(III) trifluoroacetylacetonate complexes with 1,10-phenanthroline

Ilmi, Rashid; Iftikhar, K.

Journal of Photochemistry and Photobiology A - Chemistry, 2016, 325, 68-82

DOI: 10.1016/j.jphotochem.2016.03.018

 

Simulation of the chemical interactions of luminescent lanthanide complexes series [Ln(cin)(3)(H2O)(3)]center dot Hcin and [Ln(2)(cin)(6)(bpy)(2)] using DFT calculations

Martins, Mateus J. F.; Marques, Lippy F.; Tavares, Sergio R.; et al.

Computational Material Science, 2016, 115, 184-191

DOI: 10.1016/j.commatsci.2016.01.015

 

Bright red luminescence and triboluminescence from PMMA-doped polymer film materials supported by Eu3+-triphenylphosphine based beta-diketonate and 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene oxide

George, T. M.; Sajan, M. J.; Gopakumar, N.; et al.

Journal of Photochemistry and Photobiology A - Chemistry, 2016, 317, 88-99

DOI: 10.1016/j.jphotochem.2015.11.016

 

Recent advances in lanthanide spectroscopy in Brazil

Goncalves e Silva, Fabiana R.; Capelo, Renato G.; Albuquerque, Rodrigo Q.

Journal of Luminescence, 2016, 170,472-483

DOI: 10.1016/j.jlumin.2015.06.047

 

Structure and luminescent investigation of new Ln(III)-TTA complexes containing N-methyl-epsilon-caprolactam as ligand

Borges, Alex Santos; Caliman, Ewerton Valadares; Dutra, Jose Diogo L.; et al.

Journal of Luminescence, 2016, 170, 654-662
DOI: 

 

Yttrium aluminum garnet coating on glass substrate

Camila M.A. Ferreira, Gabriela S. Freiria, Emerson H. de Faria, Lucas A. Rocha, Katia J. Ciuffi, Eduardo J. Nassar

Journal of Luminescence, 2016, 170, 686–691

DOI: 10.1016/j.jlumin.2015.02.026

 

The effect of 4-halogenobenzoate ligands on luminescent and structural properties of lanthanide complexes: experimental and theoretical approaches

Jorge H. S. K. Monteiro, Ana de Bettencourt-Dias, Italo O. Mazali, Fernando A. Sigoli

New J. Chem., 2015, 39, 1883-1891

DOI: 10.1039/C4NJ01701C

 

RM1 Modeling of Neodymium, Promethium, and Samarium Coordination Compounds

M.A. Machado Filho, J.D.L. Dutra, G.B. Rocha, A. Simas

RSC Advances, 2015, 5, 12403-12408

DOI: 10.1039/C4RA12682C

 

Modelling the Luminescence of Phosphonate Lanthanide–Organic Frameworks

Mariela M. Nolasco, Ricardo F. Mendes, Patrícia P. Lima, Filipe A. Almeida Paz, Luís D. Carlos, João Rocha

European Journal of Inorganic Chemistry, 2015, 2015, 1254–1260

DOI: 10.1002/ejic.201402492

 

Nanospherical Silica as Luminescent Markers Obtained by Sol–Gel

Caroline B. Azevedo, Túlio M. Batista, Emerson H. de Faria, Lucas A. Rocha, Katia J. Ciuffi, Eduardo J. Nassar

Journal of Fluorescence, 2015, 25, 433-440

DOI:10.1007/s10895-015-1530-4015

 

Synthesis, structural characterization, luminescent properties and theoretical study of three novel lanthanide metal-organic frameworks of Ho(III), Gd(III) and Eu(III) with 2,5-thiophenedicarboxylate anion

Lippy F. Marques, Charlane C. Correa, Sidney J.L. Ribeiro, Molíria V. dos Santos, José Diogo L. Dutra, Ricardo O. Freire, Flávia C. Machado

Journal of Solid State Chemistry, 2015, 227, 68–78

DOI: doi:10.1016/j.jssc.2015.03.020

 

On the design of highly luminescent lanthanide complexes

Jean-Claude G. Bünzli

Coordination Chemistry Reviews, 2015, 293-294, 19-47.

DOI: doi:10.1016/j.ccr.2014.10.013

 

Ab Initio Study of Energy Transfer Pathways in Dinuclear Lanthanide Complex of Europium (III) and Terbium (III) Ions.

Ksenia A. Romanova, Alexandra Ya. Freidzon, Alexander A. Bagaturyants, Yury G. Galyametdinov

J. Phys. Chem. A, 2014, 118, 11244–11252

DOI:10.1021/jp509492e

 

Exploring the reaction coordinates for ff emission and quenching of lanthanide complexes–thermo-sensitivity of terbium (III) luminescence.

M. Hatanaka, K. Morokuma

Journal of Chemical Theory and Computation, 2014, 10, 4184–4188

DOI: 10.1021/ct500668n

 

Nanostructured and/or Nanoscale Lanthanide Metal-Organic Frameworks

Z. Zhang, Z. Zheng

Structure and Bonding, 2014, 163, 297-367

DOI: 10.1007/430_2014_167

 

Modelling the luminescence of extended solids: an example of a highly luminescent MCM-41 impregnated with a Eu 3+ β-diketonate complex

Mario R. Felício, Teresa G. Nunes, Patrícia M. Vaz, A. M. P. Botas, de Paulo Ribeiro-Claro, Rute A. S. Ferreira, Ricardo O. Freire, Pedro D. Vaz, Luís D. Carlos, Carla D. Nunes, Mariela M. Nolasco

Journal of Materials, 2014, 2, 9701-9711

DOI: 10.1039/c4tc01072h

 

RM1 Model for the Prediction of Geometries of Complexes of the Trications of Eu, Gd, and Tb

Manoel A. M. Filho, José Diogo L. Dutra, Higo L. B. Cavalcanti, Gerd B. Rocha, Alfredo M. Simas, Ricardo O. Freire

J. Chem. Theory Comput., 2014, 10 (8), pp 3031–3037

DOI: 10.1021/ct400909w