TY  - JOUR
T1  - SYNTHESIS AND THEORETICAL STUDY OF 4-ACETYL-5-(2-NAPHTYL)-2,3-DIHYDRO-2,3-FURANDIONE WITH SOME NITROGENOUS NUCLEOPHILES
AU  - Saracoglu, Murat
AU  - Kandemirli, Fatma
AU  - Özalp, Ayhan
AU  - Kökbudak, Zülbiye
PY  - 2016
DA  - August
JF  - Electronic Letters on Science and Engineering
PB  - Fevzullah TEMURTAŞ
WT  - DergiPark
SN  - 1305-8614
SP  - 24
EP  - 25
VL  - 12
IS  - 2
LA  - en
AB  - 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.
KW  - Furan-2
KW  - 3-dione
KW  - Nitrogenous Nucleophiles
KW  - 2
KW  - 4-dioxopentanoic Acid
KW  - Quantum Chemical Calculations
UR  - https://dergipark.org.tr/en/pub/else/article/313721
L1  - https://dergipark.org.tr/en/download/article-file/303852
ER  -