Development of a multifunctional biomimicking l-cysteine based oxovanadium(iv) complex: synthesis, DFT calculations, bromo-peroxidation and nuclease activity

RSC Advances ◽  
2015 ◽  
Vol 5 (114) ◽  
pp. 94462-94473 ◽  
Author(s):  
Urmila Saha ◽  
Kalyan K. Mukherjea
Keyword(s):  
Schiff Base ◽  
Dft Calculations ◽  
Nuclease Activity ◽  
Spectroscopic Studies ◽  
Esi Ms ◽  
Oxovanadium Complex

An oxovanadium complex [VO(sal-l-cys)(phen)] (sal-l-cys = Schiff base derived from salicylaldehyde and l-cysteine; phen = 1,10-phenanthroline) has been synthesized and characterized by spectroscopic studies (IR, UV-vis, ESI-MS and EPR studies).

Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain

CrystEngComm ◽  
2021 ◽  
Author(s):  
Mainak Karmakar ◽  
Antonio Frontera ◽  
Shouvik Chattopadhyay
Keyword(s):  
Schiff Base ◽  
Solid State ◽  
Dft Calculations ◽  
Zinc Complexes ◽  
Infinite Chain ◽  
State Structure ◽  
Computational Tools ◽  
Solid State Structure ◽  
Reduced Schiff Base ◽  
Insight Into

The formation of an infinite 1D assembly is governed by the H-bonding interactions in the solid state structure of the two zinc complexes. It has been analyzed energetically using DFT calculations and several computational tools.

Formation of a water-mediated assembly of two neutral copper(ii) Schiff base fragments with a Cu2(NCS)4moiety: exploration of non-covalent C–H⋯π(bimetallo ring) interactions

CrystEngComm ◽  
2018 ◽  
Vol 20 (12) ◽  
pp. 1679-1689 ◽  
Author(s):  
Sourav Roy ◽  
Michael G. B. Drew ◽  
Antonio Bauzá ◽  
Antonio Frontera ◽  
Shouvik Chattopadhyay
Keyword(s):  
Schiff Base ◽  
Dft Calculations ◽  
Schiff Base Complex ◽  
Dimer Formation ◽  
Base Complex

The energetic features of dimer formation and water encapsulation in an interesting copper(ii) Schiff base complex, [(CuL)2⊂(H2O)][Cu2(μ1,3-NCS)2(NCS)2], have been studied using DFT calculations.

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