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.

Search the complete career archive by title, author, journal or DOI. Publication years retain the bibliography’s date precision.

Selected publications

6 of 37 journal articles shown

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

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

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

    DOI: 10.1021/acs.inorgchem.3c02569

  2. 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

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

    Jean Nunes Laner; Henrique C. Silva Junior; Fabiano Severo Rodembusch; Eduardo Ceretta Moreira

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

    DOI: 10.1039/d0cp05502f

  4. 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

    Yolanda Navarro; Stéphane Soriano; Henrique C. Silva Junior; María José Iglesias; Guilherme P. Guedes; Fernando López Ortiz

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

    DOI: 10.1039/d5ce01150g

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

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

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

    DOI: 10.1007/s00894-025-06417-5

  6. 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

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

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

    DOI: 10.1039/d1dt01961a

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

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

    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

    Yolanda Navarro; Stéphane Soriano; Henrique C. Silva Junior; María José Iglesias; Guilherme P. Guedes; Fernando López Ortiz

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

    DOI: 10.1039/d5ce01150g

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

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

    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

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

    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

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

    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)

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

    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

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

    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

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

    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

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

    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)

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

    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

    Louise Kommers Reimann; Bianca Thaís Dalberto; Paulo Henrique Schneider; Henrique C. Silva Junior; Fabiano Severo Rodembusch

    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

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

    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

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

    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

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

    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

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

    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]

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

    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

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

    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

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

    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

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

    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

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

    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

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

    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

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

    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

    Thiago Jacobsen Peglow; Marcelo Marques Vieira; Nathalia Batista Padilha; Bianca T. Dalberto; Henrique C. Silva Junior; Fabiano Severo Rodembusch; Paulo Henrique Schneider

    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

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

    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

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

    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

    Henrique C. Silva Junior; Uhil Antunes; Aline Joana Rolina Wohlmuth Alves dos Santos; Eduardo Ceretta Moreira

    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)

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

    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

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

    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

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

    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

    Jean Nunes Laner; Henrique C. Silva Junior; Fabiano Severo Rodembusch; Eduardo Ceretta Moreira

    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

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

    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

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

    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

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

    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

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

    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

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

    Inorganic Chemistry Communications · 86, 62-65 · 2017

    DOI: 10.1016/j.inoche.2017.09.001