Synthesis and comparative investigations of DFT/B3LYP, B3PW91, CAM-B3LYP and HSEH1PBE methods applied to molecular structure, spectroscopic analysis, electronic properties of a novel hydrazone having triazole and pyrazole moiety
In this study, we report the synthesis of a novel compound, 4-(((5-(naphthalen-2-yloxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-propyl-4H-1,2,4-triazole-3-thione (7b), which crystallizes in a triclinic system with a P1̄ space group. The molecular structure was confirmed by single crysta...
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| Principais autores: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2025-03-01
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| Colecção: | Results in Chemistry |
| Assuntos: | |
| Acesso em linha: | http://www.sciencedirect.com/science/article/pii/S2211715625000888 |
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