Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures

Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardı́a, Mercè

doi:10.1016/j.ica.2020.119561

Cited by 14 publications

(6 citation statements)

References 45 publications

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“…The structure is held together by the four Pip ligands exhibiting a bidentate bridged (µ 2 -η 1 :η 1 ) coordination mode. The bond lengths and angles are within the range of analogous paddle-wheel complexes [13,14] (Table 1). [Zn(μ-Pip)(Pip)(Isn)2]2•2[Zn(Pip)2(HPip)(Isn)]•2MeOH (2).…”

Section: Crystal and Extended Structure Of Zn(ii) Complexesmentioning

confidence: 84%

“…In recent studies, our group has examined the structure-properties relationship of several Zn(II) and Cd(II) metal complexes with benzoic acid or piperonylic acid (HPip) and 3-phenylpyridine, 4-phenypyridine and 4-acetylpyridine (4-Acpy) [13,14]. From these studies, three dimeric [Zn 2 (CO 2 ) 4 ] paddle-wheel and three dimeric [Cd 2 (CO 2 ) 4 ]−2+2 double bridged complexes were synthesized and their crystal structures were elucidated.…”

Section: Introductionmentioning

confidence: 99%

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Tuning Photophysical Properties by p-Functional Groups in Zn(II) and Cd(II) Complexes with Piperonylic Acid

et al. 2022

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Aggregation between discrete molecules is an essential factor to prevent aggregation-caused quenching (ACQ). Indeed, functional groups capable of generating strong hydrogen bonds are likely to assemble and cause ACQ and photoinduced electron transfer processes. Thus, it is possible to compare absorption and emission properties by incorporating two ligands with a different bias toward intra- and intermolecular interactions that can induce a specific structural arrangement. In parallel, the π electron-donor or electron-withdrawing character of the functional groups could modify the Highest Ocuppied Molecular Orbital (HOMO)–Lowest Unocuppied Molecular Orbital (LUMO) energy gap. Reactions of M(OAc)2·2H2O (M = Zn(II) and Cd(II); OAc = acetate) with 1,3-benzodioxole-5-carboxylic acid (Piperonylic acid, HPip) and 4-acetylpyridine (4-Acpy) or isonicotinamide (Isn) resulted in the formation of four complexes. The elucidation of their crystal structure showed the formation of one paddle-wheel [Zn(μ-Pip)2(4-Acpy)]2 (1); a mixture of one dimer and two monomers [Zn(µ-Pip)(Pip)(Isn)2]2·2[Zn(Pip)2(HPip)(Isn)]·2MeOH (2); and two dimers [Cd(μ-Pip)(Pip)(4-Acpy)2]2 (3) and [Cd(μ-Pip)(Pip)(Isn)2]2·MeOH (4). They exhibit bridged (1, µ2-η1:η1), bridged, chelated and monodentated (2, µ2-η1:η1, µ1-η1:η1 and µ1-η1), or simultaneously bridged and chelated (3 and 4, µ2-η2:η1) coordination modes. Zn(II) centers accommodate coordination numbers 5 and 6, whereas Cd(II) presents coordination number 7. We have related their photophysical properties and fluorescence quantum yields with their geometric variations and interactions supported by TD-DFT calculations.

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Section: Crystal and Extended Structure Of Zn(ii) Complexesmentioning

confidence: 84%

Section: Introductionmentioning

confidence: 99%

Tuning Photophysical Properties by p-Functional Groups in Zn(II) and Cd(II) Complexes with Piperonylic Acid

et al. 2022

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“…Our group has previously explored the structural behavior of d 10 metal ions in the presence of either carboxylic aromatic ligands or combined with N -donor aromatic ligands, relating it with their photophysical properties. − In this contribution, we focused on Hg(II) halides in the presence of N -donor aromatic conjugated cations being 2,2′-bipyridium (2,2′-Hbipy) + , 2,2′-bipyridine-1,1′-diium (2,2′-H 2 bipy) 2+ , and 1,10-phenantrolinium (1,10-Hphen) + , bearing on their different planarity and bulkiness. Herein, the synthesis of six hybrid Hg(II) halides, (2,2′-Hbipy) 2 (Hg 2 Cl 6 ) ( 1 ), (2,2′-H 2 bipy)(HgX 4 ) (X = Br ( 2 ), I ( 3 )), and (1,10-Hphen) 2 (HgX 4 ) (X = Cl ( 4 ), Br ( 5 ), and I ( 6 )), is reported, and their single-crystal X-ray structures are determined.…”

Section: Introductionmentioning

confidence: 96%

Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides

et al. 2020

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Understanding the structure and arrangement of hybrid metal halides and their contribution to the optoelectronic properties is, thus far, a challenging topic. In particular, new materials composed of d10 metal halides and pyridinium cations are still largely unexplored. Therefore, we report the synthesis and characterization of six Hg(II) salts built up from (Hg2Cl6)2– or (HgX4)2– anions (X = Cl, Br, I) and 2,2′-bipyridium (2,2′-Hbipy)+, 2,2′-bipyridine-1,1′-diium (2,2′-H2bipy)2+, or 1,10-phenantrolinium (1,10-Hphen)+ cations, using the same experimental conditions. All of them have been characterized by PXRD, EA, FTIR-ATR, and 1H NMR spectroscopies; single-crystal X-ray diffraction; and TG/DTA determinations. The study of their packing via Hirshfeld surface analysis and 3D deformation density mapping revealed the contributions of the intermolecular interactions to the structural arrangement, notably, the effect of the cation planarity on them. Successively, periodic DFT calculations showed that (i) the valence and conducting bands are mainly composed of the p orbitals of the halide and the organic cation, respectively, and (ii) the corresponding band gap depends mainly on the halide.

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“…Hence, the choice of Isn was based on the guided arrangement into dimeric Zn( ii ) complexes driven by the amide–amide homosynthon, 11 otherwise obtaining the dimeric paddle-wheel, whereas 4-Acpy was selected as a non-guiding ligand for better comparison. 38 Therefore, we conducted the reaction of Zn( ii ) and Cd( ii ) with 2-FA and Isn or 4-Acpy. From these reactions, we have isolated five complexes bearing two isostructural dimeric [Zn(μ-2-FA)(2-FA)(Isn) 2 ] 2 ( 1 ) and [Cd(μ-2-FA)(2-FA)(Isn)] 2 ] 2 ( 2 ) arrays, a dimeric paddle-wheel ([Zn(μ-2-FA) 2 (4-Acpy)] 2 ( 3 ), a monomeric [Cd(2-FA) 2 (4-Acpy) 2 (OH 2 )] ( 4 ), and a polymeric structure {[Cd(μ-2-FA) 2 (OH 2 ) 2 ] n [Cd(μ-2-FA) 2 (4-Acpy)(OH 2 )] n } ( 5 ) (Scheme 1).…”

Section: Introductionmentioning

confidence: 99%

“…Hence, the choice of Isn was based on the guided arrangement into dimeric Zn(II) complexes driven by the amide-amide homosynthon, 11 otherwise obtaining the dimeric paddle-wheel, whereas 4-Acpy was selected as a non-guiding ligand for better comparison. 38 Therefore, we conducted the reaction of Zn(II) and Cd(II) with 2-FA and Isn or 4-Acpy. From these reactions, we have isolated five complexes bearing two isostructural dimeric…”

Section: Introductionmentioning

confidence: 99%

Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation

et al. 2023

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Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures

Cited by 14 publications

References 45 publications

Tuning Photophysical Properties by p-Functional Groups in Zn(II) and Cd(II) Complexes with Piperonylic Acid

Tuning Photophysical Properties by p-Functional Groups in Zn(II) and Cd(II) Complexes with Piperonylic Acid

Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides

Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation

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