Syntheses, characterization, density functional theory calculations, and activity of tridentate SNS zinc pincer complexes

Miecznikowski, John R.; Lo, Wayne; Lynn, Matthew A.; O’Loughlin, Brianne E.; DiMarzio, Amanda P.; Martinez, Anthony M.; Lampe, Lorraine; Foley, Kathleen M.; Keilich, Lauren C.; Lisi, George P.; Kwiecien, Daniel J.; Pires, C.M.; Kelly, William J.; Kloczko, Nathan F.; Morio, Kaitlyn N.

doi:10.1016/j.ica.2011.07.021

Cited by 19 publications

(21 citation statements)

References 43 publications

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“…Reactivity data for imidazole complexes with the CH 2 linker is consistently lower when compared to previous studies carried out without the CH 2 linker [20] when identical ligand groups were tested. Imidazole compounds with isopropyl wingtip R groups without the CH 2 linker gave a catalytic activity of 42% compared to 32% when the CH 2 linker compound was tested.…”

Section: Reactivitycontrasting

confidence: 60%

“…These compounds react with 2,6-bis(bromomethyl)pyridine in 1,4-dioxane to form ligand precursor salts, 1a -6a, that are soluble in DMSO, methanol, acetonitrile and water [20,28].…”

Section: Syntheses and Spectroscopymentioning

confidence: 99%

“…We also note that this interaction, permitted by the flexibility allowed through the introduction of the methylene linkers, leads to an oxidation that is approximately 300 mV easier than we observed in our previous report. [20]…”

Section: Cyclic Voltammetry Of Ligand Precursors and Comparison Of Cymentioning

confidence: 99%

“…To the best of our knowledge, such tridentate pincer ligand systems have rarely been used in bio-inspired modeling chemistry. Our group has already had success in preparing tridentate SNS ligands that incorporate thione-substituted based imidazole functionalities as well as zinc model complexes that contain these ligands [20]. The tridentate ligands used in these systems were relatively rigid as the pyridine and the imidazoles were directly bound to each other.…”

Section: Introductionmentioning

confidence: 99%

“…The tridentate ligands used in these systems were relatively rigid as the pyridine and the imidazoles were directly bound to each other. Further, in an effort to understand the presence and sterics of ancillary alkyl groups on the ability of this model system to reduce aldehydes, the ligands were prepared with imidazolyl rings having R groups of various sizes as shown in [20] In our current work, we seek to further our understanding of the catalytic nature of the zinc complexes by tuning the structure of tridentate SNS-pincer ligands. Previously, we prepared somewhat rigid ligand systems through the use of 2,6-dibromopyridine as a ligand precursor.…”

Section: Introductionmentioning

confidence: 99%

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Syntheses, characterization, density functional theory calculations, and activity of tridentate SNS zinc pincer complexes based on bis-imidazole or bis-triazole precursors

Miecznikowski

Lynn

et al. 2012

Inorganica Chimica Acta

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Section: Reactivitycontrasting

confidence: 60%

“…These compounds react with 2,6-bis(bromomethyl)pyridine in 1,4-dioxane to form ligand precursor salts, 1a -6a, that are soluble in DMSO, methanol, acetonitrile and water [20,28].…”

Section: Syntheses and Spectroscopymentioning

confidence: 99%

Section: Cyclic Voltammetry Of Ligand Precursors and Comparison Of Cymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Syntheses, characterization, density functional theory calculations, and activity of tridentate SNS zinc pincer complexes based on bis-imidazole or bis-triazole precursors

Miecznikowski

Lynn

et al. 2012

Inorganica Chimica Acta

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Homoleptic Mononuclear Tris‐Chelate Complexes of Fe^II, Co^II, Ni^II, and Zn^II Based on a Redox‐Active Imidazolyl‐2‐thione Ligand: Structural and Electrochemical Correlation

et al. 2020

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Five mononuclear tris‐chelate complexes of FeII, CoII, NiII and ZnII, containing the bidentate ligand 3‐methyl‐1‐(2‐pyridyl)imidazolyl‐2‐thione (L), have been synthesised and characterised, namely [MII(L)3](BF4)2, where M = Fe (1), Co (2), Ni (3) and Zn (4), and [FeII(L)3](PF6)2 {1‐(PF6)2}. The complexes have been characterised by standard methods and single‐crystal X‐ray diffraction, showing that all the complexes are isostructural and isomorphs, crystallising in the P1 space group, except for 1‐(PF6)2, which crystallises in the P21/c, as expected due to the different size and symmetry of the anion. The metal centre is found in a distorted meridional‐N3S3 octahedral geometry. In all the complexes, two ligand strands within the same complex cation unit interact via an almost perfect face‐to‐face π–π stacking. The double intramolecular interaction occurs between a pyridyl ring of one ligand strand and an imidazolyl ring of a second ligand strand and vice versa. The FeII and CoII complexes, 1 and 2, are stabilised in the high spin state, based on the bond lengths and angles obtained by SC‐XRD and by VT‐magnetic studies in the solid state and NMR Evans method in CD3CN solution. The cyclic voltammetry behaviour for compounds 1–4 showed an EC mechanism for the oxidation process, in which two ligand strands are electrochemically oxidised, instead of the metal centre, followed by a chemical process (de‐coordination and dimerisation). Whereas, the reduction process involved metal electrodeposition for the FeII, NiII and ZnII complexes. In the case of the CoII complex, the voltammetric response suggested a multistep decomposition process during the electrochemical reduction. Finally, a linear correlation between the oxidation potential of the ligand and the average M–N bond length has been found, permitting the modification of the oxidation potential by selection of the metal centre.

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Synthesis, Single Crystal Structure and Spectroscopic Characterization of a Nickel(II) Complex that Contains a SNS Tridentate Ligand

et al. 2022

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Syntheses, characterization, density functional theory calculations, and activity of tridentate SNS zinc pincer complexes

Cited by 19 publications

References 43 publications

Syntheses, characterization, density functional theory calculations, and activity of tridentate SNS zinc pincer complexes based on bis-imidazole or bis-triazole precursors

Syntheses, characterization, density functional theory calculations, and activity of tridentate SNS zinc pincer complexes based on bis-imidazole or bis-triazole precursors

Homoleptic Mononuclear Tris‐Chelate Complexes of Fe^II, Co^II, Ni^II, and Zn^II Based on a Redox‐Active Imidazolyl‐2‐thione Ligand: Structural and Electrochemical Correlation

Synthesis, Single Crystal Structure and Spectroscopic Characterization of a Nickel(II) Complex that Contains a SNS Tridentate Ligand

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Syntheses, characterization, density functional theory calculations, and activity of tridentate SNS zinc pincer complexes

Cited by 19 publications

References 43 publications

Syntheses, characterization, density functional theory calculations, and activity of tridentate SNS zinc pincer complexes based on bis-imidazole or bis-triazole precursors

Syntheses, characterization, density functional theory calculations, and activity of tridentate SNS zinc pincer complexes based on bis-imidazole or bis-triazole precursors

Homoleptic Mononuclear Tris‐Chelate Complexes of FeII, CoII, NiII, and ZnII Based on a Redox‐Active Imidazolyl‐2‐thione Ligand: Structural and Electrochemical Correlation

Synthesis, Single Crystal Structure and Spectroscopic Characterization of a Nickel(II) Complex that Contains a SNS Tridentate Ligand

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Homoleptic Mononuclear Tris‐Chelate Complexes of Fe^II, Co^II, Ni^II, and Zn^II Based on a Redox‐Active Imidazolyl‐2‐thione Ligand: Structural and Electrochemical Correlation