J. Niclós‐Gutiérrez

Universidad de Granada — Spain

Materials Science · Physical Sciences

28h-index2.3kcitations386works0.82yr avg
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Research Topics

Crystallization and Solubility Studies(263), X-ray Diffraction in Crystallography(261), Metal complexes synthesis and properties(87), Crystallography and molecular interactions(53), Metal-Organic Frameworks: Synthesis and Applications(49)

Publications386 total

Nitro–ring inter–laminar π,π–interactions affecting the crystal building of N–(p–nitro–benzyl)–iminodiacetato–nickel(II) complex. Synthesis, characterization, Hirshfeld surface analysis, time–dependent–DFT and optical bandgap energy plots of H2NBIDA and their Ni(II) binary and ternary complexes.
2025Open Access
Aqueous media synthesis of Ni(II) complexes of N–(p–methyl–phenethyl)–iminodiacetate(2-) chelate with or without N–heterocyclic donor ligands: Supramolecular architectures, molecular docking, Hirshfeld surfaces analysis, DFT overview and optical bandgap measurements.
Polyhedron·2025· 2 cited
Aqueous media synthesis of Ni(II) complexes of N–(p–methyl–phenethyl)–iminodiacetate(2-) chelate with or without N–heterocyclic donor ligands: Supramolecular architectures, Molecular docking, Hirshfeld surfaces analysis, DFT overview and optical bandgap measurements
SSRN Electronic Journal·2025Open Access
Crystal structure and supramolecular chemistry of N–(o–chloro–benzyl)–iminodiacetic acid and its copper(II) complex, [Cu(o–ClBzIDA)(phen)]·3H2O: Theoretical insights, Hirshfeld surfaces and molecular docking studies
SSRN Electronic Journal·2025Open Access
Magnetic Isolation of the Linear Trinuclear Anion in [Cu(Him)6] {Cu(Him)4[Cu(μ-EDTA)(Him)]2}·6H2O (1) as the Novel Imidazolium(+) Salt (H2im)2[Cu(Him)4{(µ-EDTA)Cu(Him)}2]·2H2O (2)—A Comparative Look to Their Crystal Structures, Thermal, Spectral and Magnetic Properties and DFT Calculations
International Journal of Molecular Sciences·2024Open Access
Magnetic Isolation of the Linear Trinuclear Anion in [Cu(Him)<sub>6</sub>] {μ-Cu(Him)<sub>4</sub>[Cu(EDTA)(Him)]<sub>2</sub>}·6H<sub>2</sub>O (1) as the Novel Imidazolium(+) Salt (H<sub>2</sub>im)<sub>2</sub>[Cu(Him)<sub>4</sub>{(µ-EDTA)Cu(Him)}<sub>2</sub>]·2H<sub>2</sub>O (2). A Comparative Look to Their Crystal Structures, Thermal, Spectral And Magmetic Properties and DFT Calculations
Preprints.org·2024Open Access
Supramolecular architectures, Hirshfeld surfaces analysis, spectroscopic, computational and photovoltaic properties of nickel(II) binary and ternary complexes of N-phenethyl-iminodiacetate (2-) chelate
Polyhedron·2024· 4 cited
Synthesis, Structural Characterisation, and Electrochemical Properties of Copper(II) Complexes with Functionalized Thiosemicarbazones Derived from 5-Acetylbarbituric Acid
Molecules·2024· 1 citedOpen Access
Synthesis, Structural Characterization and Electrochemical Properties of Copper(II) Complexes with Functionalized Thiosemicarbazones Derived from 5-Acetylbarbituric Acid
Preprints.org·2024· 1 citedOpen Access
Supramolecular Architectures, Hirshfeld Surfaces Analysis, Computational and Photovoltaic Properties of Nickel(Ii) Binary and Ternary Complexes of N-Phenethyl-Iminodiacetate (2-) Chelate
SSRN Electronic Journal·2024Open Access
Supramolecular Nature of Multicomponent Crystals Formed from 2,2′-Thiodiacetic Acid with 2,6-Diaminopurine or N9-(2-Hydroxyethyl)adenine
International Journal of Molecular Sciences·2023· 5 citedOpen Access
Supramolecular Nature of Multicomponent Crystals Formed from 2,2’‐thiodiacetic acid with 2,6‐diaminopurine or N9‐(2‐Hydroxyethyl)adenine
Preprints.org·2023· 2 citedOpen Access
H(N3)dap (Hdap = 2,6-Diaminopurine) Recognition by Cu2(EGTA): Structure, Physical Properties, and Density Functional Theory Calculations of [Cu4(μ-EGTA)2(μ-H(N3)dap)2(H2O)2]·7H2O
Molecules·2023· 3 citedOpen Access
H(N3)dap (Hdap = 2,6-diaminopurine) Recognition by Cu<sub>2</sub>(EGTA): Structure, Physical Properties and DFT-Calculations of [Cu<sub>4</sub>(μ-EGTA)<sub>2</sub>(μ-H(N3)dap)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·7H<sub>2</sub>O
Preprints.org·2023· 1 citedOpen Access
The Copper(II)-Thiodiacetate (tda) Chelate as Efficient Receptor of N9-(2-Hydroxyethyl)Adenine (9heade): Synthesis, Molecular and Crystal Structures, Physical Properties and DFT Calculations of [Cu(tda)(9heade)(H2O)]·2H2O
Molecules·2023· 2 citedOpen Access
The copper(II)-Thiodiacetate (Tda) Chelate As Efficient Receptor of N9-(2-Hydroxyethyl)adenine (9heade). Synthesis, Molecular and Crystal Structures, Physical Properties and Dft Calculations of [Cu(tda)(9heade)(H2O)]·2H2O
Preprints.org·2023· 2 citedOpen Access
A Tetranuclear Ni(II)-Cubane Cluster Molecule Build by Four µ3-O-Methanolate (MeO) Ligands, Externally Cohesive by Four Unprecedented Bridging µ2-N7,O6-Acyclovirate (acv-H) Anions
Crystals·2022· 4 citedOpen Access
CCDC 750075: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 750074: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
Synthesis, characterization, and quantum chemical study of cobalt(II) chelates with <i>N</i>-phenethyl-iminodiacetate(2-)-like ligands. Influence of <i>p</i>-(<i>R</i>)-phenethyl group on crystal pattern
Journal of Coordination Chemistry·2022· 3 cited
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Frequent Co-authors

A. Castiñeiras(35), J.M. González-Pérez(35), Duane Choquesillo‐Lazarte(29), Alicia Domínguez‐Martín(14), Guido Crisponi(10), Valeria Marina Nurchi(9), Rosa Carballo(7), E. Bugella‐Altamirano(6), Joanna Izabela Lachowicz(6), J.D. Martı́n-Ramos(5), Zbigniew Szewczuk(5), Antonio Matilla-Hernández(5), Ram N. Patel(4), K.K. Shukla(4), María del Pilar Brandi-Blanco(4), Isabel García‐Santos(4), Tiziana Pivetta(4), Carolina Alarcón-Payer(4), A.G. Sicilia-Zafra(3), M.J. Sánchez‐Moreno(3)