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Semiempirical Quantum Chemical and Ab Intio Study of Co(Ii), Ni(Ii),Cu(Ii) and Zn(Ii) Complexes with the Azo Dye Derived from 4-Amino Antipyrine and 2,4-Dihydroxy Acetopheone

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Authors: Rajendra (Auto) College, Satya Narayan Chaulia

Year

2021

Paper ID

5243

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

77

Citations

0

Abstract

Semi-empirical quantum chemical calculation was made to study the nucleophilicity of the ligand and to study the mode of bonding between the ligand and the metal ions. The natural atomic charge at different atomic sites of the ligand has been calculated along with the electrostatic potential map to predict the reactive sites for electrophilic and nucleophilic attack. The theoretical spectral data such as IR, NMR and electronic have been calculated and compared with the experimentally generated data.

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  • This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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  • Semi-empirical quantum chemical calculation was made to study the nucleophilicity of the ligand and to study the mode of bonding between the ligand and the metal ions.

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References & Citation Signals

[1] DOI https://doi.org/10.53656/nat2021-6.03 [2] Publisher https://doi.org/10.53656/nat2021-6.03

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