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
2021 ◽
Vol 30
(6)
◽
pp. 586-605
Keyword(s):
Azo Dye
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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. 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.
2011 ◽
Vol 67
(a1)
◽
pp. C233-C234
Keyword(s):
2021 ◽
pp. 22-26
2017 ◽
Vol 118
(8)
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pp. e25535
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2017 ◽
Vol 137
(11)
◽
pp. 626-631
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Keyword(s):
1980 ◽
Vol 45
(2)
◽
pp. 475-481