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Synthesis and Quantum Chemical Calculations of2,4-Dioxopentanoic Acid Derivatives-Part II   
Yazarlar (4)
Murat Saraçoğlu
Erciyes Üniversitesi, Türkiye
Prof. Dr. Fatma KANDEMİRLİ Prof. Dr. Fatma KANDEMİRLİ
Kastamonu Üniversitesi, Türkiye
Ayhan Özalp
Zülbiye Kökbudak
Erciyes Üniversitesi, Türkiye
Devamını Göster
Özet
The 2,4-dioxopentanoic acid derivatives (3d-f) were obtained from the reaction of 4-acetyl-5-(1-naphthyl)furan-2,3dione (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. In addition to experimental analysis, quantum-chemical calculations of derivatives of 2,4dioxopentanoic acid (3d-f) were carried out by using B3LYP method with basis set of the 6-311G(d,p) in order to find molecular properties. Quantum chemical features such as HOMO, LUMO, HOMO-LUMO energy gap, chemical hardness, chemical softness, electronegativity, chemical potential, dipole moment etc. were calculated and discussed
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale
Dergi Adı International Journal of Science and Engineering Investigations
Dergi ISSN 2251-8843
Dergi Tarandığı Indeksler Index Copernicus
Makale Dili İngilizce
Basım Tarihi 01-2017
Cilt No 6
Sayı 60
Sayfalar 50 / 57
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Google Scholar 9

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