Mapping of Solvent-Mediated Molecular Self-Assembly of Iron(III) Discrete Compounds: Exploring Their Magnetic Behavior and Phosphatase-Like Activity

Article abstract of DOI:10.1021/acs.cgd.9b01521

Two newly synthesized Fe(III) based complexes, [Fe₄L₂(μ₃-O)₂(Cl)₂(MeOH)₄(H₂O)₄](ClO₄)₂·4H₂O·MeOH (1) and [Fe₂L₃]·4DMF (2) were isolated in solid crystalline form using the reaction of iron(III) perchlorate with the ligand H₂L (H₂L = 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene))bis(2-methoxyphenol). (DMF= N,N-dimethylformamide, MeOH = methanol). Compound 1 was self-assembled in MeOH, but when the solvent was changed to DMF, compound 2 was harvested. Furthermore, compound 1 was converted to compound 2 just by dissolving compound 1 in DMF. Sequential self-assembly and conversion of compound 1 to 2 were monitored by UV-vis spectroscopy and ESI-Mass spectroscopy in solution phase. Single crystal X-ray analysis showed that compound 1 has μ₃-oxo bridged tetranuclear structure whereas compound 2 has puckered dinuclear structure. Magnetic studies indeed revealed frustrated magnetic spin for compound 1 whereas antiferromagnetic interaction was observed for compound 2. The spectrophotometrical investigation on their phosphatase like activity revealed remarkable hydrolytic efficiency for both the complexes. Michaelis-Menten-derived kinetic parameters suggest the competitiveness of the rate of P-O bond fission employing the phosphomonoester (4-nitrophenyl)phosphate (PNPP) in 97.5% DMF is 1 > 2, and the k_cat value lies in the range 28.95-38.43 s^-1 at 298 K. Computational calculations have verified the higher catalytic activity of compounds 1 over 2 attributed to the large number of labile groups attached to the metal centers.

Full text of DOI:10.1021/acs.cgd.9b01521

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Article
Mapping of Solvent Mediated Molecular Self-Assembly
of Fe(III) Discrete Compounds: Exploring their
Magnetic Behaviour and Phosphatase Like Activity
Tania Chowdhury, Amit Adhikary, Manasi Roy, Ennio Zangrando, Debabrata Samanta, and Debasis Das
Cryst. Growth Des., Just Accepted Manuscript • DOI: 10.1021/acs.cgd.9b01521 • Publication Date (Web): 08 Jan 2020
Downloaded from pubs.acs.org on January 8, 2020
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ACS Paragon Plus Environment

Crystal Growth & Design
Page 4 of 32
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ACS Paragon Plus Environment

Page 5 of 32
Crystal Growth & Design
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ACS Paragon Plus Environment

Crystal Growth & Design
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ACS Paragon Plus Environment

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ACS Paragon Plus Environment

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ACS Paragon Plus Environment

Crystal Growth & Design
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Page 21 of 32
Crystal Growth & Design
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ACS Paragon Plus Environment

Crystal Growth & Design
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ACS Paragon Plus Environment

Page 23 of 32
Crystal Growth & Design
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Crystal Growth & Design
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Crystal Growth & Design
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Crystal Growth & Design
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Crystal Growth & Design
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ACS Paragon Plus Environment

Page 29 of 32
Crystal Growth & Design
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