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    A lead(II)-N′-isonicotinoylpyrazine-2-carbohydrazonamide complex system as a converter of aerial carbon dioxide to carbonate under electrochemical conditions with the formation of a single-component white light-emitting phosphor
    (Royal society of chemistry, 2024) Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Labisbal, Elena; Castineiras, Alfonso; Alizadeh, Vali; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.
    In this contribution, a novel binuclear heteroleptic complex [Pb2L2(CO3)]2CH(3)CN2MeOH (12CH(3)CN2MeOH) is reported, which was fabricated by electrochemical oxidation of a lead anode under an ambient atmosphere in a CH3CN : MeOH solution of N '-isonicotinoylpyrazine-2-carbohydrazonamide (HL). The CO32- anion was produced from the conversion of aerial CO2 by the Pb2+-L complex system under electrochemical conditions. In the structure of 1, ligand L exhibits a tridentate pincer-like N,N ',O-coordination mode, while the CO32- anion exhibits a tetradentate bridging coordination mode with one of the oxygen atoms exhibiting a bridging mu-coordination mode. The metal cations in the structure of 1 are in a five-membered N2O3 coordination environment, formed by covalent bonds. The molecular structure of 12CH(3)CN2MeOH is stabilized by a pair of intermolecular Pb & ctdot;N tetrel bonds formed with one of the NH2 nitrogen atoms of an adjacent complex molecule and with the acetonitrile nitrogen atom, and one Pb & ctdot;O tetrel bond formed with the carbonyl oxygen atom of the other adjacent complex molecule, yielding a 2D supramolecular sheet. This sheet is further stabilized by intermolecular N-H & ctdot;N-acetonitrile and N-H & ctdot;O-carbonate hydrogen bonds and pi(Pyrazine)& ctdot;pi(Pyridine) interactions. The optical properties of the complex were revealed by UV-vis spectroscopy and spectrofluorimetry in MeOH. It was established that the described complex is emissive upon excitation at 340 nm with a broad band from about 500 nm to 780 nm with a maximum at similar to 580 nm, accompanied by a shoulder at similar to 620 nm. The CIE-1931 chromaticity coordinates of (0.28, 0.36) fall within the white gamut of the chromaticity diagram. Thus, complex 1 is a single-component white light-emitting phosphor.
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    A Nanosized Porous Supramolecular Lead(II)-N′-phenyl(pyridin-2-yl)methylene-N-phenylthiosemicarbazide Aggregate, Obtained Under Electrochemical Conditions
    (American Chemical Society, 2024) Mahmoudi, Ghodrat; Garcia Santos, Isabel; Labisbal, Elena; Castineiras, Alfonso; Alizadeh, Vali; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.
    A novel nanosized porous supramolecular nonanuclear complex [Pb9(HL)12Cl2(ClO4)](ClO4)3·15H2O·a(solvent) (1·15H2O·a(solvent)) is reported that was synthesized by electrochemical oxidation of a Pb anode under the ambient conditions in a CH3CN:MeOH solution of N′-phenyl(pyridin-2-yl)methylene-N-phenylthiosemicarbazide (H2L), containing [N(CH3)4]ClO4 as a current carrier. The supramolecular aggregate of 1 is enforced by a myriad of Pb···S tetrel bonds (TtBs) established with the thiocarbonyl sulfur atoms of adjacent species, which have been also analyzed by DFT calculations via 2D maps of ELF, Laplacian and RDG properties. Moreover, Pb···Cl TtBs with the central Cl- anion, and Pb···O TtBs with the three oxygen atoms of the ClO4- anion, were revealed. Notably, the molecular structure of 1 differs significantly from that recently reported by us [Pb2(HL)2(CH3CN)(ClO4)2]·2H2O (2·2H2O), which was obtained using a conventional synthetic procedure by reacting Pb(ClO4)2 with H2L in the same CH3CN:MeOH solution, thus highlighting a crucial role of the electrochemical conditions. The optical characteristics of the complex were investigated using UV-vis spectroscopy and spectrofluorimetry in methanol. The complex was found to be emissive when excited at 304 nm, producing a broad emission band ranging from approximately 420 to 600 nm with multiple peaks. The CIE-1931 chromaticity coordinates, calculated as (0.33, 0.24), suggest that the emission lies in the white region of the chromaticity diagram. Further investigation is needed to fully characterize the origin of this emission. © 2024 The Authors. Published by American Chemical Society.
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    Aerial carbon dioxide conversion to carbonate mediated by a lead(ii) complex with tridentate bipyridine containing a hydrazide ligand under electrochemical conditions yielding single-component white-light-emitting phosphors
    (Royal Society of Chemistry, 2024) Mahmoudi, Ghodrat; Garcia Santos, Isabel; Labisbal, Elena; Castiñeiras, Alfonso; Alizadeh, Vali; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.
    A novel tetranuclear complex [Pb4L4(CO3)2]·4H2O (1·4H2O) is reported, which was obtained through the electrochemical oxidation of a lead anode under an ambient atmosphere in a CH3CN : MeOH solution of N’-isonicotinoylpicolinohydrazonamide (HL). CO32− anions were formed through the conversion of aerial CO2via the Pb2+-L complex system under electrochemical conditions. The ligand L links two Pb2+ cations through the carbonyl oxygen atom, while the CO32− anion links two Pb2+ cations through two monodentate and one bidentate oxygen atoms. The molecular structure of 1 is stabilized by a pair of Pb⋯O tetrel bonds formed with the bidentate oxygen atom of the CO32− anion, while molecules of 1 are interlinked through reciprocal π(chelate ring)⋯π(chelate ring), π(chelate ring)⋯π(noncovalent ring) and Pb⋯π(noncovalent ring) interactions, yielding a 1D supramolecular chain. The same reaction but under a nitrogen atmosphere yielded a novel mononuclear complex [PbL2]·MeOH·2H2O (2·MeOH·2H2O). In the structure of 2, each ligand L exhibits a tridentate coordination mode. Molecules of 2 are also interlinked through reciprocal π(chelate ring)⋯π(chelate ring), π(chelate ring)⋯π(noncovalent ring) and Pb⋯π(noncovalent ring) interactions, similar to 1, yielding a 1D supramolecular chain. The energetic features of these assemblies were studied using DFT calculations. Additionally, QTAIM analysis was employed to characterize noncovalent contacts, including intermolecular Pb⋯N tetrel bonds. These tetrel bonds were further analyzed using the ELF and Laplacian of electron density 2D maps, which confirmed their noncovalent nature. The optical properties of the complexes were revealed using UV-vis and diffuse reflectance spectroscopy and spectrofluorometry. Both complexes were found to be emissive in a solution of MeOH. CIE-1931 chromaticity coordinates of (0.38, 0.37) and (0.31, 0.32) for 1·4H2O and 2·MeOH·2H2O, respectively, fall within the white gamut of the chromaticity diagram. © 2024 The Royal Society of Chemistry.