%0 Journal Article
%T Conformational Analysis of N,N'-Phenylene-Diylbis[3-(1-Aminoethyl-6-Methyl-2H-Pyran-2,4(3H)-Dione]
%A Arslan ščnal
%A Muhammet Okur
%J -
%D 2018
%X Conformational analysis of N,N'-phenylenediylbis[3-(1-aminoethyl)-6-methyl-2H-pyran-2,4(3H)-dione] were performed by using theoretical calculations. The possible stable conformers in keto-amine or imine-enol forms of N,N'-phenylenediylbis[3-(1-aminoethyl)-6-methyl-2H-pyran-2,4(3H)-dione] on its potential energy surface (PES) were investigated by semi-empirical methods and hybrid-density functional theory (h-DFT) with the basis sets of different size and type. On account of relative energies and population analysis, the more stable forms of N,N'-phenylenediylbis[3-(1-aminoethyl)-6-methyl-2H-pyran-2,4(3H)-dione were determined
%K Conformational analysis
%K DFT
%K PES
%K N.N'-phenylenediylbis3-(1-aminoethyl)-6-methyl-2H-pyran-2.4(3H)-dione
%K Tautomerism
%U http://dergipark.org.tr/bseufbd/issue/41708/486208