Design, synthesis, structure and magnetic behavior of a high spin binuclear Fe(III) complex of N-(1-ethanol)-N,N-bis(3-tert-butyl-5-methyl-2-hydroxybenxyl) amine

Tan, Xing-Wu; Wang, Bai-Mu; Wang, Ye; Zhan, Shu‐Zhong

doi:10.1016/j.inoche.2010.06.014

Cited by 11 publications

(3 citation statements)

References 25 publications

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“…Single crystal X-ray analyses of complexes 1 and 3 established their molecular structures. The room temperature magnetic moment values of 5.81 μ B /Fe (μ total = 11.62 μ B /Fe 4 ) and 5.89 μ B /Fe (μ total = 11.78 μ B /Fe 4 ) for 1 and 2 , respectively, were determined by the Gouy method. , These values are comparable to those reported for similar iron(III) complexes with μ-OH and bridging acetate groups − and slightly lower than the spin-only magnetic moment value of 5.91 μ B /Fe (μ total = 11.82 μ B /Fe 4 ) expected for four uncoupled high-spin iron(III) ions, indicating the antiferromagnetic interactions among the iron centers.…”

Section: Resultssupporting

confidence: 58%

Phosphatase-like Activity of Tetranuclear Iron(III) and Zinc(II) Complexes

et al. 2018

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Three new tetranuclear iron(III) and zinc(II) complexes, [Fe(cpdp)(phth)(OH)]·8HO (1), [Fe(cpdp)(terephth)(OH)] (2), and [Zn(Hcpdp)(suc)]Br·12HO (3), have been synthesized as models for the active site of phosphoester hydrolases by utilizing a polydentate ligand, N, N'-bis[2-carboxybenzomethyl]- N, N'-bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol (Hcpdp) in combination with exogeneous phthalate (phth), terephthalate (terephth), and succinate (suc). Single crystal X-ray analyses reveal that the metallic core of complex 1 consists of four distorted octahedral iron(III) ions with average intraligand Fe---Fe separation of 3.656(2) Å, while the structure 3 represents a tetranuclear metallic core containing four distorted trigonal bipyramidal zinc(II) ions with average intraligand Zn---Zn separation of 3.472(2) Å. The molecular structure of complex 2 has been optimized by the DFT method which shows that its core arrangement is similar to that of 1. Complex 1 has a very interesting centrosymmetric structure that includes two crystallographically equivalent [Fe(cpdp)] dinuclear units, connected together by a pair of syn-syn bridging phthalates and a pair of bridging hydroxides to generate a "dimer of dimers" structural motif. In complex 3, a succinate group connects two crystallographically equivalent [Zn(Hcpdp)] dinuclear units in a syn-syn bidentate manner forming a "dimer of dimers" structural design. All three complexes show phosphatase-like activity that has been examined in methanol-water (1:1; v/v) using bis( p-nitrophenyl) phosphate (BNPP) as model substrate by applying the UV-vis spectrophotometric technique. In each case, the kinetic data have been analyzed by the Michaelis-Menten approach. The order of catalytic efficiency for the conversion of substrate to product follows the trend 1 > 2 > 3 with turnover rates ( k) of (2.73 ± 0.13) × 10 for 1, (1.06 ± 0.07) × 10 for 2, and (2.33 ± 0.18) × 10 s for 3. These k values are comparable to, albeit slightly lower than, the values reported for similar iron(III)- and zinc(II)-based model complexes in the literature. DFT calculations have been carried out to support the proposed mechanism for phosphatase-like activity.

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Section: Resultssupporting

confidence: 58%

Phosphatase-like Activity of Tetranuclear Iron(III) and Zinc(II) Complexes

et al. 2018

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“…Herein, we utilized a heteropolydentate ligand N(CH 2 CH 2 OH){CH 2 (2- t -Bu-4-Me-C 6 H 2 OH)} 2 (H 3 L) with a bulky substituent in the phenolic ring to obtain pseudostannatranes. The H 3 L is previously reported to obtain dinuclear complexes of iron and vanadium, Fe 2 L 2 and V 2 O 2 L 2 , respectively (where L is deprotonated ligand). − Although the structure of its analog, i.e., N(CH 2 CH 2 OMe){CH 2 (2- t -Bu-4-Me-C 6 H 2 OH)} 2 (having variation at the alcoholic arm), has been investigated, structural aspects of the H 3 L, however, were not elucidated in detail. In the present work, the H 3 L has been isolated in crystalline form, and its structure is confirmed by spectroscopic studies and single-crystal X-ray crystallography.…”

Section: Introductionmentioning

confidence: 99%

Mononuclear Pseudostannatranes Possessing Unsymmetrical [4.4.3.0^1,5]Tridecane Cage: Experimental and Theoretical Aspects of Reverse Kocheshkov Reaction in Phenyl Pseudostannatrane

et al. 2020

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The synthetic protocols, structural aspects, and spectroscopic aspects of mononuclear pseudostannatranes possessing a [4.4.3.01,5]tridecane cage have been reported. A tripodal ligand N(CH2CH2OH){CH2(2-t-Bu-4-Me-C6H2OH)}2 (H3L) having unsymmetrical arms was reacted with n-butyltrichlorostannane, phenyltrichlorostannane, and tin tetrachloride under different solvent systems to obtain pseudostannatranes (1–3). The reaction of n-butyltrichlorostannane and the ligand in CH3OH/Na/THF yielded an aqua complex of pseudostannatrane [LSnBu(H2O)] (1 a ), which was crystallized as its acetone solvate (i.e 1 a ·Me2CO). However, the same reactants yielded methanol complex [LSnBu(CH3OH)] (1 b ) when the reaction was carried out in the NaOCH3/C2H5OH system. Similarly, the reaction of phenyltrichlorostannane and the ligand under these solvent systems yielded pseudostannatranes, i.e., an aqua complex [LSnPh(H2O)] (2 a ) and a methanol complex [LSnPh(CH3OH)] (2 b ) (where 2a was crystallized as 2 a ·Me2CO). The reaction of tin tetrachloride and the ligand in the Et3N/THF system resulted in the formation of pseudostannatrane [LHSnCl2] (3). A similar product was isolated as its triethylamine solvate (3·NEt 3 ) due to the disproportion reaction when PhSnCl3 was reacted with the ligand in the Et3N/C6H5CH3 system, which demonstrates the first report on the reverse Kocheshkov reaction in pseudostannatranes. The experimental findings on the formation of 3·NEt 3 due to the reverse Kocheshkov reaction have been corroborated with 119Sn NMR spectroscopy and density functional calculations that provide insightful information about the underlying details of the reaction route.

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“…The iron complexes become a hot research subject by good magnetic, catalytic and optical properties [2][3][4][5][6][7][8][9][10][11]. For example, Z. Trávníček reported a series of [Fe(salen)(L)] n complexes and studied the magnetic, SOD, DNA mitotic activity and antitumor activity of the complexes [12].…”

mentioning

confidence: 99%

Fe(II) coordination polymers: Structures and surface photoelectric properties

Niu

et al. 2011

Inorganic Chemistry Communications

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Design, synthesis, structure and magnetic behavior of a high spin binuclear Fe(III) complex of N-(1-ethanol)-N,N-bis(3-tert-butyl-5-methyl-2-hydroxybenxyl) amine

Cited by 11 publications

References 25 publications

Phosphatase-like Activity of Tetranuclear Iron(III) and Zinc(II) Complexes

Phosphatase-like Activity of Tetranuclear Iron(III) and Zinc(II) Complexes

Mononuclear Pseudostannatranes Possessing Unsymmetrical [4.4.3.0^1,5]Tridecane Cage: Experimental and Theoretical Aspects of Reverse Kocheshkov Reaction in Phenyl Pseudostannatrane

Fe(II) coordination polymers: Structures and surface photoelectric properties

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Design, synthesis, structure and magnetic behavior of a high spin binuclear Fe(III) complex of N-(1-ethanol)-N,N-bis(3-tert-butyl-5-methyl-2-hydroxybenxyl) amine

Cited by 11 publications

References 25 publications

Phosphatase-like Activity of Tetranuclear Iron(III) and Zinc(II) Complexes

Phosphatase-like Activity of Tetranuclear Iron(III) and Zinc(II) Complexes

Mononuclear Pseudostannatranes Possessing Unsymmetrical [4.4.3.01,5]Tridecane Cage: Experimental and Theoretical Aspects of Reverse Kocheshkov Reaction in Phenyl Pseudostannatrane

Fe(II) coordination polymers: Structures and surface photoelectric properties

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Mononuclear Pseudostannatranes Possessing Unsymmetrical [4.4.3.0^1,5]Tridecane Cage: Experimental and Theoretical Aspects of Reverse Kocheshkov Reaction in Phenyl Pseudostannatrane