Author/Authors
BERBER, Halil Anadolu Üniversitesi - Fen Fakültesi - Kimya Bölümü, Turkey , UYSAL, Ülkü Dilek Anadolu Üniversitesi - Fen Fakültesi - Kimya Bölümü, Turkey
Title Of Article
THEORETICAL INVESTIGATION OF STABLE STRUCTURES FOR CERTAIN 5-SUBSTITUTED PHENYL- 3-(4-METOXYPHENYL)-1-(2-(PHENYLTHIO)PHENYL)FORMAZAN DERIVATIVES
شماره ركورد
41868
Abstract
In this study, theoretical calculations for certain formazan derivates, synthesized previously by our group, and their tautomer forms were done by Gaussian 09 software package program using DFT (B3LYP) method. Stable tautomer structures, posssible geometries for the molecules and their spestroscopic properties have been calculated. The calculated data has been compared with those experimental values and the possible correlations were searched.
From Page
85
NaturalLanguageKeyword
Formazan , Tautomerism , Theoretical calculation , DFT.
JournalTitle
Eskişehir Technical University Journal of Science and Technology B - Theoretical Sciences
To Page
104
JournalTitle
Eskişehir Technical University Journal of Science and Technology B - Theoretical Sciences
Link To Document