A novel nickel(II) complex with N,S donor Schiff base: Structural characterisation, DFT, TD-DFT study and catalytic investigation

Authors

  • Manas Chowdhury Department of Chemistry, West Bengal State University, Barasat, Kolkata-700126, India
  • Niladri Biswas Department of Biotechnology, Institute of Genetic Engineering, No. 30, Thakurhat Road, Badu, Madhyamgram, Kolkata, West Bengal 700128,India
  • Sandeepta Saha Department of Chemistry, West Bengal State University, Barasat, Kolkata-700126, India
  • Ennio Zangrando Department of Chemical and Pharmaceutical Sciences, University of Trieste, 34127 Trieste, Italy
  • Nayim Sepay Department of Chemistry, Lady Brabourne College, Kolkata-700017, India.
  • Chirantan Roy Choudhury Department of Chemistry, West Bengal State University, Kolkata, India

DOI:

https://doi.org/10.17344/acsi.2023.8136

Keywords:

Ni (II) complex · Schiff base · crystal structure · DFT study · catecholase-like activity

Abstract

One new mononuclear nickel(II) thiosemicarbazone complex (1), has been synthesised from the Schiff base ligand derived from p-anisaldehyde and thiosemicarbazide. Complex 1 is characterized by using different spectroscopic techniques and single crystal X-ray structure analysis. Time dependent density functional theory (TD-DFT) was performed to simulate the electronic spectra of the complex 1 with the help of Polarizable Continuum Model (PCM) model. Complex 1 acts as functional models. The catalytic property has been evaluated from Lineweaver-Burk plot using the Michaelis-Menten approach of enzyme catalysis with a kcat value of the order of 708 h−1.

Author Biography

Chirantan Roy Choudhury, Department of Chemistry, West Bengal State University, Kolkata, India

Professor, Department of Chemistry

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Published

04.11.2023

Issue

Vol. 70 No. 4 (2023): Acsi

Section

Inorganic chemistry

License

Copyright (c) 1970 Manas Chowdhury, Niladri Biswas, Sandeepta Saha, Ennio Zangrando, Nayim Sepay, Chirantan Roy Choudhury

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

Except where otherwise noted, articles in this journal are published under the Creative Commons Attribution 4.0 International License