The 2,4-dioxopentanoic acid derivatives (3d-f) were obtained from the reaction of 4-
acetyl-5-(1-naphthyl)furan-2,3-dione (1) with various nitrogenous nucleophiles (2d-f). The structures
of these newly synthesized compounds (3d-f) were determined from the FT-IR, 1H and 13C NMR
spectroscopic data and elemental analyses. Theoretical Study of derivatives of (3Z)-3-{2-naphthyl[2-
(4-nitrophenyl)hydrazino]methylene}-2,4-dioxopentanoic acid (3d-f) were carried out by using
DFT/B3LYP method with basis set of the 6-311G(d,p) in order to find molecular properties by
Gaussian 03 program [1](see Schemes 1and 2). According to EHOMO and softness values; electronic
give trends for investigated molecules can be written as: 3f>3d>3e.The EHOMO and EHOMO energy gap
of a measure of stability. Additionally, according to EHOMO and EHOMO energy gap; stability give
trends for investigated molecules can be written as: 3e>3d>3f.
Furan-2 3-dione Nitrogenous Nucleophiles 2 4-dioxopentanoic Acid Quantum Chemical Calculations
Birincil Dil | İngilizce |
---|---|
Konular | Mühendislik |
Diğer ID | JA55FC66KJ |
Bölüm | Makaleler |
Yazarlar | |
Yayımlanma Tarihi | 1 Ağustos 2016 |
Gönderilme Tarihi | 1 Ağustos 2016 |
Yayımlandığı Sayı | Yıl 2016 Cilt: 12 Sayı: 2 |