Phosphatase Mimicking Activity of Two Zinc(II) Schiff Base Complexes with Zn₂O₂ Cores: NBO Analysis and MEP Calculation to Estimate Non‐Covalent Interactions

Abstract

Two zinc(II) complexes, [Zn 2 (L 1 ) 2 (N 3 ) 2 ] (1) (HL 1 = [2-((2-(dimethylamino)ethylimino)methyl)phenol] and [Zn 2 (L 2 ) 2 (NCO) 2 ] (2) (HL 2 = [1-(1-(2-(dimethylamino)ethylimino)ethyl)naphthalen-2ol] have been synthesized and characterized by X-ray crystallography. Density functional theory (DFT) calculations have been employed to estimate the contribution of various noncovalent interactions in the formation of self assembly using several theoretical models. Excellent phosphatase mimicking activities {k cat = 135 h À1 (for 1) and 190 h À1 (for 2) at 298 K} on disodium 4-nitrophenylphosphate hexahydrate substrate have been exhibited by both complexes. The phosphatase mimicking activity has been evaluated by monitoring the increase in absorbance at 427 nm (spectrophotometrically) indicating gradual release of p-nitrophenolate by the hydrolysis of 4nitrophenylphosphate ester with time.[a] T.

Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C–H⋯π interactions

“…Several zinc(II) complexes have been shown to have the ability to mimic the active sites of many zinc metalloenzymes. [7][8][9][10] Many zinc(II) complexes are shown to have the ability to degrade organic dyes in aqueous solution. [11][12][13] To show strong uorescence is a typical behaviour of any zinc(II) complex, and the uorescence intensity usually decreases in presence of different nitroaromatic compounds.…”

A Zinc(II) Coordination Polymer Based on a Chain of {Zn2O7} Bitetrahedra Bridged by 3‐Methoxybenzoates

“…Similar behavior namely red shift of ligand emission has been reported in other d 10 systems. [16][17][18][19][20]…”

“…[5][6][7] In the last two decades several carboxylates of Zn(II) or the higher congener Cd(II) have been studied by many research groups. [8][9][10][11][12][13][14][15][16][17][18][19][20] These studies have resulted in the characterization of several zinc coordination polymers of varying dimensionalities (1D or 2D or 3D) which exhibit interesting structures and luminescene properties. [8][9][10][11][12][13][14][15][16][17] The structures of several dinuclear Zn(II) carboxylates with bridging hydroxo ligand are archived in the Cambridge structural database (CSD).…”

“…[8][9][10][11][12][13][14][15][16][17][18][19][20] These studies have resulted in the characterization of several zinc coordination polymers of varying dimensionalities (1D or 2D or 3D) which exhibit interesting structures and luminescene properties. [8][9][10][11][12][13][14][15][16][17] The structures of several dinuclear Zn(II) carboxylates with bridging hydroxo ligand are archived in the Cambridge structural database (CSD). [21] An analysis of more than forty structures retrieved from the CSD (Table S1) reveals that a majority of these compounds are prepared hydrothermally using hydrated zinc(II) salts like zinc acetate, [22][23] zinc nitrate, [24][25] zinc chloride [26][27] etc.…”

Siklobütan Halkası İçeren Schiff Bazı ve Metal Komplekslerinin Sentezi ve Antimikrobiyal Aktivite Çalışmaları

“…Schiff bazlarının geçiş metal komplekslerinin kimyası uzun zamandan beri önemsenmekte ve inorganik kimyada bugüne kadar umut vaad eden bir araştırma konusudur [14]. Schiff bazı kompleksleri, moleküler ferromanyetlerin tasarımında ve sentezinde [15][16][17][18], çeşitli (biyomimetik) katalitik reaksiyonlarda ve biyolojik modelleme uygulamalarında [19][20][21][22][23][24] sıkça kullanılır. Schiff bazları ayrıca tıbbi ve farmasötik kimyada kullanılma potansiyeline sahip bir kompleksler sınıfı oluşturur.…”