The Syntheses, Molecular Structures, Spectroscopic Properties (IR, Micro–Raman, NMR and UV–vis) and DFT Calculations of Antioxidant 3–alkyl–4–[3–methoxy–4–(4–methylbenzoxy …
Yazarlar (1)
Doç. Dr. Onur AKYILDIRIM Kafkas Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Letters in Organic Chemistry (Q4) | ||
| Makale Dili | – | Basım Tarihi | 07-2013 |
| Cilt / Sayı / Sayfa | 10 / 6 / 395–441 | DOI | – |
| Makale Linki | https://www.ingentaconnect.com/content/ben/loc/2013/00000010/00000006/art00004 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| The syntheses, antioxidant activities, acidity properties, experimental and theoretical investigations of vibrational spectra (FT–IR and micro–Raman), 13C and 1H NMR chemical shifts and electronic properties of 3–alkyl–4–[3– methoxy–4–(4–methylbenzoxy)benzylidenamino]–4,5–dihydro–1H–1,2,4–triazol–5–one (Me, Et and n–Pr) molecules have been presented for the first time. The new compounds were analyzed for their potential antioxidant activities in three different methods.The calculations of molecular structures, vibrational frequencies, 13C and 1H NMR chemical shifts and electronic absorption wavelengths of the title molecules were computed by using the DFT/B3LYP method with 6– 31G(d) basis set which was used to have the structural and spectroscopic data about the mentioned molecules in the ground state and the results calculated were compared with experimental values. Furthermore, gauge … |
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