Microwawe-assisted synthesis and gaussian calculations of long chain alkyl derivatives that includes imidazoline and 1,4,5,6-tetrahydropyrimidine rings

In this thesis study; firstly, the long chain 2-substitue-imidazoline and 2-substitue-1,4,5,6-tetrahydopyrimidine compounds were obtained by the reaction myristoyl chloride (or palmitoyl chloride) with ethylenediamine (or 1,3-diaminopropane) in tetrahydrofuran at basic media. The obtained compounds structures were characterized by using 1H-NMR, FT-IR techniques. In the second part; theoretical 1H-NMR, FT-IR spectrums as well as HOMO-LUMO energy levels, some electronic parameters such as electronegativity (χ), chemical hardness (η), MEP, thermodynamic parameters and theoretical UV-Vis spectrum were calculated by using Gaussian 09 program.