Investigation of Electronic Sensing and ‎Spectroscopy Behavior of di-oxide Pyrimidine ‎As Breast Cell using Density Functional Theory

Abstract

This study deals with the investigation of the electronic sensing and spectroscopic behavior for the di-oxide pyrimidine as one type of Breast cancer cell and it is adduct di-oxide fluorine pyrimidine. The stationary state energy, electronic states, forbidden energy and some electronic variables were theoretically calculated by employing density functional theory using Gaussian 09 package of programs. The results showed that the di-oxide pyrimidine with presence of Fluorine has high electronic sensing and it is more chemically active to interacts with the surrounding. The presence of Fluorine in the structure has no effect on the vibration modes of the di-oxide pyrimidine but has high effect on the excitation energy can occur for the Breast cancer cell, the di-oxide pyrimidine with Fluorine has high sensing property than the di-oxide