Structural investigation of (2,2-dimethylpropane-1,3-dilybis {imino [(2-hydroxyphenyl) methanediyl]}) bis (phosphinic acid)

In this study, (2,2-dimethylpropane1,3-diylbis{imino[(2-hydroxyphenyl)methanediyl]})bis (phosphinic acid) the compound syntheses was made. The synthesized molecule is charactirized experimentally 1H-NMR, 13C-NMR, 31P-NMR, FT-IR and based on elemental tecniques. As a result of this, physical parametres are determined. In order to support experimental results, the molecular geometry and spectrums of the compound, IR and NMR are revealed theoretically using Gaussian 09W and Gauss View 5.1 package and with the help of Density Functional Theory. The energy, load distribition, dipole moment, molecular electrostatic potential and limit molecular orbits (HOMO and LUMO) are obtained through calculating. At the end of the study the harmony between them is confirmed comparing teoric and experimantal results. As a consequence of these results, it has been revealed that the theoric values and experimantal results had a great harmony.