In this work, 1-(1-benzyl-1H-1,2,3-triazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine (1), a ligand belonging to the DPA family, was coordinated to La(III), yielding compound La-1. The structural and spectroscopic properties of the complex were analyzed by experimental and theoretical methods. The structural characterization of La-1 was described by means of single-crystal X-ray diffraction (SC-XRD) and Hirshfeld surface analysis, allowing a detailed conformational investigation. The lowest-energy conformer obtained from DFT calculations conformationally agreed with the structure obtained by SC-XRD. 1H NMR titration studies confirmed the formation of a stable complex in solution. Ligand 1 exhibited a sensitive fluorescence enhancement and ratiometric response to La(III) ions, indicating that 1 can be considered a first step towards the design of new tools for the detection of lanthanide metal ions in environmental chemistry. • Nitrogen based heterocyclic compounds are very effective in metal coordination • The use of click reaction open the way to complex structures embedding the triazole ring • Lanthanum is the one of the most common rare earth metal used in industry • Toxicity of lanthanum requires novel approaches for its detection and removal from the environment • A combined solid/liquid state and computational approach is fundamental in understanding the properties of ligand-metal coordination

Synthesis and characterization of a novel lanthanum (III) complex with a di(2-picolyl)amine-based ligand endowed with fluorescent properties / G. Colombo Dugoni, M. Mori, V. Dichiarante, A. Sacchetti, F. Meneghetti. - In: JOURNAL OF MOLECULAR STRUCTURE. - ISSN 0022-2860. - 1265:(2022 Oct 05), pp. 133398.1-133398.10. [10.1016/j.molstruc.2022.133398]

Synthesis and characterization of a novel lanthanum (III) complex with a di(2-picolyl)amine-based ligand endowed with fluorescent properties

M. Mori
Co-primo
;
F. Meneghetti
Ultimo
2022-10-05

Abstract

In this work, 1-(1-benzyl-1H-1,2,3-triazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine (1), a ligand belonging to the DPA family, was coordinated to La(III), yielding compound La-1. The structural and spectroscopic properties of the complex were analyzed by experimental and theoretical methods. The structural characterization of La-1 was described by means of single-crystal X-ray diffraction (SC-XRD) and Hirshfeld surface analysis, allowing a detailed conformational investigation. The lowest-energy conformer obtained from DFT calculations conformationally agreed with the structure obtained by SC-XRD. 1H NMR titration studies confirmed the formation of a stable complex in solution. Ligand 1 exhibited a sensitive fluorescence enhancement and ratiometric response to La(III) ions, indicating that 1 can be considered a first step towards the design of new tools for the detection of lanthanide metal ions in environmental chemistry. • Nitrogen based heterocyclic compounds are very effective in metal coordination • The use of click reaction open the way to complex structures embedding the triazole ring • Lanthanum is the one of the most common rare earth metal used in industry • Toxicity of lanthanum requires novel approaches for its detection and removal from the environment • A combined solid/liquid state and computational approach is fundamental in understanding the properties of ligand-metal coordination
Crystal structure; Density functional theory (DFT) calculations; Fluorescence; Lanthanum-complex; NMR titration;
Settore CHIM/03 - Chimica Generale e Inorganica
Settore CHIM/06 - Chimica Organica
Settore CHIM/08 - Chimica Farmaceutica
Article (author)
File in questo prodotto:
File Dimensione Formato  
Manuscript_AIR.pdf

accesso aperto

Tipologia: Pre-print (manoscritto inviato all'editore)
Dimensione 1.3 MB
Formato Adobe PDF
1.3 MB Adobe PDF Visualizza/Apri
1-s2.0-S0022286022010547-main.pdf

accesso riservato

Tipologia: Publisher's version/PDF
Dimensione 2.47 MB
Formato Adobe PDF
2.47 MB Adobe PDF   Visualizza/Apri   Richiedi una copia
Pubblicazioni consigliate

Caricamento pubblicazioni consigliate

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/936868
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 0
  • ???jsp.display-item.citation.isi??? 0
social impact