Density Functional Theory (DFT) approach for kinetic and thermodynamic study of reaction mechanism of copper (II) complex from 2-hydrazinyl-4,5-dihydro-1h-imidazole and anthracene-9-carbaldehyde
Abstract: A computational approach was employed to study the reaction mechanism for the copper (II) complex from 2-hydrazinyl-4,5-dihydro-1H-imidazole and anthracene-9-carbaldehyde at DFT (B3LYP) theory level. The reaction mechanism was proposed and found to have five elementary steps which involve...
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| Format: | Article |
| Language: | English |
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Turkish Chemical Society
2020-02-01
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| Series: | Journal of the Turkish Chemical Society, Section A: Chemistry |
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| Online Access: | https://dergipark.org.tr/en/pub/jotcsa/issue/49279/527827 |