Diego M. Gil

Research interests

Publications

• Supramolecular assembly involving weak hydrogen bonds, anti-parallel π···π stacking and O···C tetrel bonding interactions and LOX studies in a 1H-pyrazol-1-yl)thiazole-4-carboxylate derivative: An experimental and theoretical study

  Journal of Molecular Structure · 2023 · 10.1016/j.molstruc.2023.136908

• Tetramethylammonium Cation: Directionality and Covalency in Its Interactions with Halide Ions

  Inorganic Chemistry · 2022 · 10.1021/acs.inorgchem.2c00600

• Experimental and theoretical vibrational study of the fungicide pyraclostrobin

  Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2021 · 10.1016/j.saa.2021.119888

• Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions

  CrystEngComm · 2021 · 10.1039/d1ce00256b

• X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones

  New Journal of Chemistry · 2021 · 10.1039/d1nj04340d

• A New Insight into Non-covalent Interactions in 1,4-Disubstituted 1H-1,2,3-Triazole: Synthesis, X-ray structure, DFT calculations, in vitro Lipoxygenase Inhibition (LOX) and in silico Studies

  Journal of Molecular Structure · 2021 · 10.1016/j.molstruc.2021.130283

• Role of fluorine-fluorine and weak intermolecular interactions in the supramolecular network of a new trifluoromethyl-1,5-benzodiazepine: Crystal structure, Hirshfeld surface analysis and theoretical study

  Journal of Fluorine Chemistry · 2020 · 10.1016/j.jfluchem.2020.109697

• Recurrent π–π stacking motifs in three new 4,5-dihydropyrazolyl–thiazole–coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations

  New Journal of Chemistry · 2020 · 10.1039/d0nj02931a

• Intermolecular interactions in antipyrine-like derivatives 2-halo- N -(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1 H -pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations

  New Journal of Chemistry · 2020 · 10.1039/d0nj03958f

• Relevant π-hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxoacetate derivatives: Hirshfeld surface analysis and DFT calculations

  CrystEngComm · 2020 · 10.1039/d0ce00335b

• Exploration of Br⋯O halogen bonding interactions in dinuclear vanadium(V) complexes with Schiff base ligands

  Polyhedron · 2020 · 10.1016/j.poly.2020.114676

• Enol-imino–Keto-enamine Tautomerism in a Diazepine Derivative: How Decisive Are the Intermolecular Interactions in the Equilibrium?

  The Journal of Organic Chemistry · 2019 · 10.1021/acs.joc.9b01533

• Diethylaminophenyl-based Schiff base Cu( ii ) and V( iv ) complexes: experimental and theoretical studies and cytotoxicity assays

  New Journal of Chemistry · 2019 · 10.1039/c9nj04975d

• Co(II), Ni(II) and Cu(II) ternary complexes with sulfadiazine and dimethylformamide: Synthesis, spectroscopic characterization, crystallographic study and antibacterial activity

  Journal of Molecular Structure · 2018 · 10.1016/j.molstruc.2018.09.008

• Exploring weak intermolecular interactions in thiocyanate-bonded Zn( ii ) and Cd( ii ) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties

  RSC Advances · 2018 · 10.1039/c8ra04452j

• New coordination polymers based on 2-methylimidazole and transition metal nitroprusside containing building blocks: synthesis, structure and magnetic properties

  New Journal of Chemistry · 2017 · 10.1039/c7nj03585c

• Supramolecular architectures in luminescent Zn(II) and Cd(II) complexes containing imidazole derivatives: Crystal structures, vibrational and thermal properties, Hirshfeld surface analysis and electrostatic potentials

  Journal of Molecular Structure · 2017 · 10.1016/j.molstruc.2017.01.028

• A detailed exploration of intermolecular interactions in 4-(4-dimethylaminobenzylideneamino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide and related Schiff bases: Crystal structure, spectral studies, DFT methods, Pixel energies and Hirshfeld surface analysis

  Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2017 · 10.1016/j.saa.2017.05.066

• Supramolecular self-assembly of a new multi-conformational Schiff base through hydrogen bonds: Crystal structure, spectroscopic and theoretical investigation

  Journal of Molecular Structure · 2016 · 10.1016/j.molstruc.2016.11.071

• Structural, vibrational and electronic characterization of 1-benzyl-3-furoyl-1-phenylthiourea: an experimental and theoretical study

  New Journal of Chemistry · 2015 · 10.1039/c5nj01210d

• Biofilm inhibition by a new Mn(II) complex with sulfamethoxazole: Synthesis, spectroscopic characterization and crystal structure

  Inorganica Chimica Acta · 2015 · 10.1016/j.ica.2015.07.024

• Quantum chemical studies on molecular structure, spectroscopic (IR, Raman, UV–Vis), NBO and Homo–Lumo analysis of 1-benzyl-3-(2-furoyl) thiourea

  Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 10.1016/j.saa.2015.02.071

• Ab-initio and DFT calculations on molecular structure, NBO, HOMO–LUMO study and a new vibrational analysis of 4-(Dimethylamino) Benzaldehyde

  Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 10.1016/j.saa.2014.09.077

• Lead hexacyanoferrate(II) tetrahydrate: Crystal structure, FTIR spectroscopy and thermal decomposition studies

  Polyhedron · 2011 · 10.1016/j.poly.2011.12.006

• Synthesis and structural characterization of perovskite YFeO3 by thermal decomposition of a cyano complex precursor, Y[Fe(CN)6]·4H2O

  Journal of Thermal Analysis and Calorimetry · 2010 · 10.1007/s10973-010-1176-z

Current projects

No projects listed.