ArticleInternational journal of molecular sciences2023
Combined NMR Spectroscopy and Quantum-Chemical Calculations in Fluorescent 1,2,3-Triazole-4-carboxylic Acids Fine Structures Analysis.
Article in International journal of molecular sciences, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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8 citing papers in PubMed.
- Recognition of CuSensors (Basel, Switzerland) · 2026Article
- The Spectroscopic Characterization and Photophysical Properties of a Hydrated Lanthanum Ion Complex with a Triazole Ligand by Several DFT Methods.Molecules (Basel, Switzerland) · 2025Article
- Special Issue: "Rational Design and Synthesis of Bioactive Molecules".International journal of molecular sciences · 2024Article
- Effect of Lanthanide Ions and Triazole Ligands on the Molecular Properties, Spectroscopy and Pharmacological Activity.International journal of molecular sciences · 2024Article
- Molecular properties of a triazole-Ce(III) complex with antioxidant activity: structure, spectroscopy, and relationships with related derivatives. Influence of the ligands in the complex.Frontiers in chemistry · 2024Article
- Study of the Molecular Architectures of 2-(4-Chlorophenyl)-5-(pyrrolidin-1-yl)-2Pharmaceutics · 2023Article
- Structural Study of a La(III) Complex of a 1,2,3-Triazole Ligand with Antioxidant Activity.Antioxidants (Basel, Switzerland) · 2023Article
- Peculiarities of the Spatial and Electronic Structure of 2-Aryl-1,2,3-Triazol-5-Carboxylic Acids and Their Salts on the Basis of Spectral Studies and DFT Calculations.International journal of molecular sciences · 2023Article
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4 authors.
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Abstract
The peculiarities of the optical properties of 2-aryl-1,2,3-triazole acids and their sodium salts were investigated in different solvents (1,4-dioxane, dimethyl sulfoxide DMSO, methanol MeOH) and in mixtures with water. The results were discussed in terms of the molecular structure formed by inter- and intramolecular noncovalent interactions (NCIs) and their ability to ionize in anions. Theoretical calculations using the Time-Dependent Density Functional Theory (TDDFT) were carried out in different solvents to support the results. In polar and nonpolar solvents (DMSO, 1,4-dioxane), fluorescence was provided by strong neutral associates. Protic MeOH can weaken the acid molecules' association, forming other fluorescent species. The fluorescent species in water exhibited similar optical characteristics to those of triazole salts; therefore, their anionic character can be assumed. Experimental
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