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Universidade Federal Rural do Rio de Janeiro · Departamento de Química Fundamental

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Henrique de Castro — ℏ

Henrique de Castro’s Group

Q²M³ — Quantum Chemistry of Magnetism and Molecular Materials

Quantum Chemistry of Magnetism & Molecular Materials

Publications

Journal articles coauthored by Henrique de Castro, across his academic career and collaborations.

Browse by publication year or search by title, author, journal or DOI. Years follow the retained curriculum bibliography and may differ from an article’s online-first or issue year.

Journal articles

37 of 37 journal articles shown

2026

  1. The Weak Visible n → π* Transition of CF3NO: Vertical Accuracy versus Spectral Agreement

    Gabrielly da S. Hage; Pedro Henrique R. de Oliveira; Glaucio B. Ferreira; Henrique C. Silva Junior

    ACS Omega · 2026 Online first

    DOI: 10.1021/acsomega.6c11480

  2. Structural and photophysical properties of a two-dimensional europium(III) coordination network with a diyne-based ligand

    Matos, Catiúcia R.M.O.; De Sousa, Mikaelly O.B.; Ligiero, Carolina B.P.; Junior, Henrique C.S.; Ferreira, Glaucio B.; Miranda, Fabio Da Silva; Resende, Jackson A.L.C.; Ronconi, Célia M.

    Journal of Molecular Structure · 1352, 144560 · 2026

    DOI: 10.1016/j.molstruc.2025.144560

  3. Coordination compounds based on a phosphonic diamide–TEMPO diradical and Cu(II), Nd(III), Eu(III) and Tb(III) ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols

    Navarro, Yolanda; Soriano, Stéphane; Silva, Henrique de Castro; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López

    CrystEngComm · 28 (12), 1938-1953 · 2026

    DOI: 10.1039/d5ce01150g

  4. Diffusion-based cocrystal design: Structure, characterization, and supramolecular heterosynthons

    Januário, Járede W.C.; Costa, Augusto I.; Junior, Henrique C.S.; Corrêa, Charlane C.; Flores, Leonã S.; Marinho, Maria Vanda

    Journal of Molecular Structure · 1357, 145169 · 2026

    DOI: 10.1016/j.molstruc.2025.145169

  5. Illuminating zinc ions in solution: Selective fluorescence detection with a simple coumarin-thiosemicarbazone sensor

    Pereira, Thiago Moreira; Silva Junior, Henrique de Castro; da Luz, Lilian Camargo; Pereira, Márcio Soares; Miranda, Fabio da Silva; da Silva, Clarissa Oliveira; Rodembusch, Fabiano Severo; Kümmerle, Arthur Eugen

    Dyes and Pigments · 246, 113389 · 2026

    DOI: 10.1016/j.dyepig.2025.113389

  6. Responsive Supramolecular Sensors Based on Pillar[5]arene–BTD Complexes for Aqueous Sensing: From Static Quenching to Anion and DNA Recognition

    Silva da Conceição, Débora Kélen; Petter daVeiga, Yasmin; Dotti, Claudiana; García-Río, Luis; Gerola, Adriana Passarela; de Castro Silva Junior, Henrique; Rodembusch, Fabiano Severo; Affeldt, Ricardo Ferreira; Moro, Angélica Venturini

    ACS Omega · 11 (1), 1849-1866 · 2026

    DOI: 10.1021/acsomega.5c10011

  7. Self-assembled isomorphous 2D triangular networks: divergent magnetic relaxation in Co(II) and Cu(II)

    Botelho, Luckerman D. G.; Junior, Henrique C. S.; Guedes, Guilherme P.; Mariano, Davor L.; Gomes, Angelo M.; Nunes, Wallace C.; Marinho, Maria Vanda

    RSC Advances · 16 (3), 2179–2189 · 2026

    DOI: 10.1039/d5ra06376k

2025

  1. Dependence of photophysical properties on stereoisomers: The case of nonsymmetric 2-aryl(benz)imidazole-annulated derivatives

    Luana A. Machado; Esther R.S. Paz; Emilay B.T. Diogo; Maria H. Araujo; Henrique C. Silva Junior; Fabiano S. Rodembusch; Eufrânio N. Da Silva Júnior; Luiz A. Cury

    Journal of Photochemistry and Photobiology A: Chemistry · 458, 115936 · 2025

    DOI: 10.1016/j.jphotochem.2024.115936

  2. Elucidating the electronic properties of 2,5-di(hetero)arylthiophenes bearing pyridine, thienyl, tolyl, and benzonitrile pending groups: An experimental and theoretical approach

    Paixão, Douglas B.; Luz, Lilian C.; Reimann, Louise K.; Soares, Eduardo G.O.; Silva Junior, Henrique C.; Rampon, Daniel S.; Rodembusch, Fabiano S.; Schneider, Paulo H.

    Journal of Molecular Structure · 1321, 139899 · 2025

    DOI: 10.1016/j.molstruc.2024.139899

  3. QTAIM topological analyses of zinc(II), cadmium(II), and mercury(II) xanthate complexes

    De Miranda, Daniella B.; Junior, Henrique C. Silva; Ferreira, Glaucio B.

    Journal of Molecular Modeling · 31 (7), 202 · 2025

    DOI: 10.1007/s00894-025-06422-8

  4. Shedding light on main-group dithiolene chemistry: electronic and geometrical perspectives of tris(dmit) complexes

    Menezes, Heloisa N. S.; Junior, Henrique C. S.; Ferreira, Glaucio B.

    Journal of Molecular Modeling · 31 (7), 192-205 · 2025

    DOI: 10.1007/s00894-025-06417-5

2024

  1. Ab initio investigation of the geometrical behavior in solution and electronic structure of the anion complexes [bis(1,3-dithiole-2-thione-4,5-dithiolate)M], for M = Bi(III), Sb(III), and Zn(II)

    Menezes, Heloisa N. S.; Júnior, Henrique C. S.; Ferreira, Glaucio B.

    Journal of Molecular Modeling · 30 (8), 258 · 2024

    DOI: 10.1007/s00894-024-06052-6

  2. Benzazole-Based ESIPT Fluorophores: Proton Transfer from the Chalcogen Perspective. A Combined Theoretical and Experimental Study

    Reimann, Louise Kommers; Dalberto, Bianca Thaís; Schneider, Paulo Henrique; de Castro Silva Junior, Henrique; Rodembusch, Fabiano Severo

    Journal of Fluorescence · 35 (4), 2147-2166 · 2024

    DOI: 10.1007/s10895-024-03595-y

  3. Multiple fluorescence within a single ESIPT system: Orchestrating the emission of Lophine-Benzothiazole dyads via excitation wavelength and solvent

    Câmara, Viktor Saraiva; Debia, Natalí Pires; Silva Junior, Henrique C.; Ceschi, Marco Antônio; Rodembusch, Fabiano Severo

    Journal of Molecular Liquids · 398, 124231 · 2024

    DOI: 10.1016/j.molliq.2024.124231

  4. Photoluminescent and Magnetic Properties of Mononuclear Lanthanide-Based Compounds Containing the Zwitterionic Form of 4-Picolinic Acid as a Ligand

    Areas, Esther; Rodrigues, Bruno; Do Nascimento, Ana Carolina; Silva Junior, Henrique; Ferreira, Glaucio; Miranda, Fabio; Garcia, Flávio; Safeer, Syed; Soriano, Stéphane; Guedes, Guilherme

    Journal of the Brazilian Chemical Society · 35 (4), 1-15 · 2024

    DOI: 10.21577/0103-5053.20230160

  5. Synthesis and Photophysical Evaluation of Dialkynyl‐N‐(het)arylpyrroles: Promising Key Compounds in Fluorescence Chemistry

    Peglow, Thiago J.; Nobre, Patrick C.; Thomaz, João Pedro S. S. C.; Vieira, Marcelo M.; Junior, Henrique C. S.; Dalberto, Bianca Thaís; Schneider, Paulo H.; Rodembusch, Fabiano S.; Nascimento, Vanessa

    Asian Journal of Organic Chemistry · 13 (4), e202300655 · 2024

    DOI: 10.1002/ajoc.202300655

  6. Synthesis, crystal structure and magnetic properties of two 1D coordination polymers containing Co2+ and Cu2+ ions and 1,3,5-tris(4-carboxylphenyl)benzene

    Hollauer, Henrique V. P.; de Araújo, Gabriel S.; Guedes, Guilherme P.; Junior, Henrique C. S.; Letichevsky, Sonia; Ghivelder, Luis; Soriano, Stéphane; Cambraia, Odivaldo; Escobar, Lívia B. L.

    Journal of Molecular Structure · 1306, 137811 · 2024

    DOI: 10.1016/j.molstruc.2024.137811

2023

  1. Carbon dioxide uptake by [Cu(bpca)]+: synthesis, crystal structure, and magnetic properties of {[Na(H2O)2][Cu2(bpca)2(CO3)(HCO3)]}n [Hbpca = bis(2-pyridylcarbonyl)amide]

    da Silva, Rafaela M. R.; Rosa, Iara M. L.; Oliveira, Willian X. C.; Alves, Odivaldo C.; Santos, Evelyn C. S.; Garcia, Flávio; Silva Junior, Henrique C.; Ferreira, Glaucio B.; Guedes, Guilherme P.; do Pim, Walace D.; Julve, Miguel; Marinho, Maria Vanda

    New Journal of Chemistry · 47 (3), 1066-1075 · 2023

    DOI: 10.1039/d2nj05268g

  2. ESIPT-based benzazole-pyromellitic diimide derivatives. A thermal, electrochemical, and photochemical investigation

    Frizon, Tiago E. A.; Salla, Cristian A. M.; Grillo, Felipe; Rodembusch, Fabiano S.; Câmara, Viktor S.; Silva, Henrique C.; Zapp, Eduardo; Junca, Eduardo; Galetto, Fábio Z.; de Costa, Angélica M.; Pedroso, Gabriela J.; Chepluki, Antonio A.; Saba, Sumbal; Rafique, Jamal

    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy · 288, 122050 · 2023

    DOI: 10.1016/j.saa.2022.122050

  3. Experimental and theoretical insights on the photophysical properties of ester-substituted indolizines

    Vieira, Marcelo M.; Dalberto, Bianca T.; Padilha, Nathalia B.; Junior, Henrique C.S.; Rodembusch, Fabiano S.; Schneider, Paulo H.

    Journal of Molecular Structure · 1295, 136726 · 2023

    DOI: 10.1016/j.molstruc.2023.136726

  4. Fast and efficient one-pot ultrasound-mediated synthesis of solid state (full color tunable) fluorescent indolizine derivatives

    Vieira, Marcelo M.; Dalberto, Bianca T.; Padilha, Nathalia B.; Junior, Henrique C.S.; Rodembusch, Fabiano S.; Schneider, Paulo H.

    Dyes and Pigments · 216, 111332 · 2023

    DOI: 10.1016/j.dyepig.2023.111332

  5. Imidazole-based optical sensors as a platform for bisulfite sensing and BSA/HSA interaction study. An experimental and theoretical investigation

    R. S. Paz, Esther; Isoppo, Victoria G.; Dos Santos, Fabíola S.; Machado, Luana A.; De Freitas, Rossimiriam P.; Silva Junior, Henrique C.; Chaves, Otávio A.; Iglesias, Bernardo A.; Rodembusch, Fabiano S.; Da Silva Júnior, Eufrânio N.

    Journal of Molecular Liquids · 387, 122666 · 2023

    DOI: 10.1016/j.molliq.2023.122666

  6. Near-Infrared-Emitting Meso-Substituted Heptamethine Cyanine Dyes: From the Synthesis and Photophysics to Their Use in Bioimaging

    Reimann, Louise Kommers; Fortes, Daniela de Souza; Santos, Fabiano da Silveira; Silva Junior, Henrique de Castro; Morás, Ana Moira; Moura, Dinara Jaqueline; Duarte, Rodrigo da Costa; Rodembusch, Fabiano Severo

    Chemosensors · 11 (1), 47 · 2023

    DOI: 10.3390/chemosensors11010047

  7. Organosulfur and Organoselenium Functionalized Benzimidazo[1,2-a]quinolines: From Experimental and Theoretical Photophysics to All-Solution-Processed OLEDs

    Da Silva, Rodrigo Borges; Coelho, Felipe Lange; De Castro Silva Junior, Henrique; Germino, José Carlos; Atvars, Teresa Dib Zambon; Rodembusch, Fabiano Severo; Duarte, Luís Gustavo Teixeira Alves; Schneider, Paulo Henrique

    Journal of Fluorescence · 34 (3), 1427-1439 · 2023

    DOI: 10.1007/s10895-023-03358-1

  8. Pyridine-Based Small-Molecule Fluorescent Probes as Optical Sensors for Benzene and Gasoline Adulteration

    Peglow, Thiago Jacobsen; Vieira, Marcelo Marques; Padilha, Nathalia Batista; Dalberto, Bianca T.; Silva Júnior, Henrique de Castro; Rodembusch, Fabiano Severo; Schneider, Paulo Henrique

    Photochem · 3 (1), 109-126 · 2023

    DOI: 10.3390/photochem3010008

  9. Rapid and Accurate Prediction of the Axial Magnetic Anisotropy in Cobalt(II) Complexes Using a Machine-Learning Approach

    Silva Junior, Henrique C.; Menezes, Heloisa N. S.; Ferreira, Glaucio B.; Guedes, Guilherme P.

    Inorganic Chemistry · 62 (37), 14838-14842 · 2023

    DOI: 10.1021/acs.inorgchem.3c02569

  10. Thiazolidine-Based Fluorescent Chiral Ionic Liquids for Trace Copper(II) Ion Sensing

    Griebeler, Cassiana H.; Bach, Mariana F.; Silva, Henrique C.; Rodembusch, Fabiano S.; Coelho, Felipe L.; Schneider, Paulo H.

    Compounds · 3 (3), 430-446 · 2023

    DOI: 10.3390/compounds3030032

  11. Tweaking the conjugation effects on a pair of new triazene compounds by targeted deprotonation: a spectroscopic and theoretical overview

    de Castro Silva Junior, Henrique; Antunes, Uhil; dos Santos, Aline Joana Rolina Wohlmuth Alves; Moreira, Eduardo Ceretta

    Journal of Molecular Modeling · 29 (9), 298 · 2023

    DOI: 10.1007/s00894-023-05685-3

2021

  1. An experimental and theoretical study of the electronic spectra of tetraethylammonium [tris(1,3-dithiole-2-thione-4,5-dithiolato)M] and tetraethylammonium [tris(1,3-dithiole-2-one-4,5-dithiolato)M], for M = Sn(IV) and Sb(V)

    da Silva, Victor Hugo M.; Junior, Henrique C.S.; Hollauer, Eduardo; Comerlato, Nadia M.; Ferreira, Glaucio B.

    Journal of Molecular Structure · 1223, 129219 · 2021

    DOI: 10.1016/j.molstruc.2020.129219

  2. Field-induced single-ion magnets exhibiting tri-axial anisotropy in a 1D Co(II) coordination polymer with a rigid ligand 4,4′-(buta-1,3-diyne-1,4-diyl)dibenzoate

    Matos, Catiúcia R. M. O.; Sarmiento, Charlie V.; C. Silva, Henrique; Ferreira, Glaucio B.; Guedes, Guilherme P.; Nunes, Wallace C.; Ronconi, Célia M.

    Dalton Transactions · 50 (42), 15003-15014 · 2021

    DOI: 10.1039/d1dt01961a

  3. Homobinuclear compounds based on a chiral oxazolidine ligand: From solid state study to aqueous solution dynamics

    Areas, Esther S.; Junior, Henrique C. S.; Freitas, Brunno P.; Ferreira, Glaucio B.; Guedes, Guilherme P.

    Inorganica Chimica Acta · 529, 120664 · 2021

    DOI: 10.1016/j.ica.2021.120664

  4. New insights on the ESIPT process based on solid-state data and state-of-the-art computational methods

    Laner, Jean Nunes; Silva Junior, Henrique de Castro; Rodembusch, Fabiano Severo; Moreira, Eduardo Ceretta

    Physical Chemistry Chemical Physics · 23 (2), 1146-1155 · 2021

    DOI: 10.1039/d0cp05502f

2020

  1. Coordination polymers containing a pyrazole-based ligand and 4,4′-bipyridine as a spacer: enhancing the family of nonzero-dimensional compounds featuring single-ion magnetic behavior

    Soares, Iuri C.; Junior, Henrique C.S.; de Almeida, Patrícia S.V.B.; Alves, Odivaldo C.; Soriano, Stéphane; Ferreira, Glaucio B.; Guedes, Guilherme P.

    Inorganic Chemistry Communications · 121, 108201 · 2020

    DOI: 10.1016/j.inoche.2020.108201

  2. Spin-frustration with two quasi-degenerated spin states of a copper(II) heptanuclear complex obtained from an amino acid ligand

    Matos, Catiúcia R.M.O.; Junior, Henrique C.S.; D'amato, Dayenny L.; De Souza, Acácio S.; Pinheiro, Sérgio; Guedes, Guilherme P.; Ferreira, Glaucio B.; Alves, Odivaldo C.; De Almeida, Filipe B.; Garcia, Flávio; Ronconi, Célia M.

    Dalton Transactions · 49 (45), 16359-16367 · 2020

    DOI: 10.1039/c9dt04501e

2019

  1. Mononuclear coordination compounds containing a pyrazole-based ligand: Syntheses, magnetism and acetylcholinesterase inhibition assays

    Dias, Isac M.; Junior, Henrique C.S.; Costa, Sabrina C.; Cardoso, Cristiane M.; Cruz, Antonio G.B.; Santos, Claudio E.R.; Candela, Dalber R.S.; Soriano, Stéphane; Marques, Marcelo M.M.; Ferreira, Glaucio B.; Guedes, Guilherme P.

    Journal of Molecular Structure · 1205, 127564 · 2019

    DOI: 10.1016/j.molstruc.2019.127564

2018

  1. Synthesis, crystal structure, magnetic properties and DFT calculations of a mononuclear copper(II) complex: Relevance of halogen bonding for magnetic interaction

    Silva, Cassiano P.; Junior, Henrique C.S.; Santos, Igor F.; Bernardino, Alice M.R.; Cassaro, Rafael A.A.; Novak, Miguel A.; Vaz, Maria G.F.; Guedes, Guilherme P.

    Inorganica Chimica Acta · 482, 395-401 · 2018

    DOI: 10.1016/j.ica.2018.06.033

2017

  1. New step-by-step hexanuclear copper(II) compound: Synthesis, crystal structure and magnetic properties

    Guedes, Guilherme P.; Junior, Henrique C.S.; Vaz, Maria G.F.

    Inorganic Chemistry Communications · 86, 62-65 · 2017

    DOI: 10.1016/j.inoche.2017.09.001