Two novel cobalt(ii) complexes [Co(HL1)(2)](NO3)(2).2.5H(2)O (1) and [Co(HL2)(2)](NO3)(2) (2) (where HL1 = (E)-2-(1-(pyridin-2-yl)ethylidene)hydrazine-1-carboxamide and HL2 = (E)-2-(pyridin-2-ylmethylene)hydrazine-1-carboxamide) have been synthesized and structurally characterized by spectroscopic techniques and single-crystal diffraction analysis. The complexes are close comparable with metals exhibiting the expected distorted octahedral geometry being chelated by two semicarbazone ligands via NNO donor set. The catecholase-like activity of complexes 1 and 2 was evaluated by using 3,5-di-tert-butylcatecholas substrate. The results showed that both the complexes are effective catalysts with K-cat values of 762 and 562, respectively. Theoretical DFT study and Hirschfeld surface analyses were also carried out to reveal the nature of intermolecular contacts and to integrate experimental observations.
Structural investigation, theoretical DFT, Hirshfeld surface analysis and catalytic behaviour towards 3,5-DTBC oxidation of two cobalt(ii) complexes with semicarbazone Schiff base ligands / Chowdhury, M; Biswas, N; Saha, S; Zangrando, E; Rizzoli, C; Sepay, N; Choudhury, Cr. - In: TRANSITION METAL CHEMISTRY. - ISSN 0340-4285. - 48:2(2023), pp. 63-78. [10.1007/s11243-023-00523-0]
Structural investigation, theoretical DFT, Hirshfeld surface analysis and catalytic behaviour towards 3,5-DTBC oxidation of two cobalt(ii) complexes with semicarbazone Schiff base ligands
Rizzoli, C;
2023-01-01
Abstract
Two novel cobalt(ii) complexes [Co(HL1)(2)](NO3)(2).2.5H(2)O (1) and [Co(HL2)(2)](NO3)(2) (2) (where HL1 = (E)-2-(1-(pyridin-2-yl)ethylidene)hydrazine-1-carboxamide and HL2 = (E)-2-(pyridin-2-ylmethylene)hydrazine-1-carboxamide) have been synthesized and structurally characterized by spectroscopic techniques and single-crystal diffraction analysis. The complexes are close comparable with metals exhibiting the expected distorted octahedral geometry being chelated by two semicarbazone ligands via NNO donor set. The catecholase-like activity of complexes 1 and 2 was evaluated by using 3,5-di-tert-butylcatecholas substrate. The results showed that both the complexes are effective catalysts with K-cat values of 762 and 562, respectively. Theoretical DFT study and Hirschfeld surface analyses were also carried out to reveal the nature of intermolecular contacts and to integrate experimental observations.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
