Theoretical Approach by DFT in the characterization of the Zn(II) Benzoate

Theoretical Approach by DFT in the characterization of the Zn(II) Benzoate

The condensation reaction between aminoguanidine bicarbonate and benzoic acid produced 1,2,4-triazole which, after reaction with zinc(II) chloride, led to the formation of a complex, Zn(II)-1,2,4-triazole. This complex decomposes into chloroform leading to the formation of a by-product identified b...

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Bibliographic Details
Main Authors: Patrícia Saraiva Vilas Boas de Almeida, Vitor da Cunha Baia, José Roberto da Silveira Maia, Elson Santiago de Alvarenga
Format: Article
Language:English
Published: Universidade Federal de Viçosa (UFV) 2024-04-01
Series:The Journal of Engineering and Exact Sciences
Subjects:
Zinc(II)
Geometry
Spectroscopy
DFT
Hartree-Fock
Online Access:https://periodicos.ufv.br/jcec/article/view/18514
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