en موضوع هشتم Polymers bioapplicable polymers پژوهشي Research Article <span style="font-size:11pt"><span style="line-height:normal"><span style="font-family:Calibri,sans-serif"><span style="font-size:12.0pt"><span new="" roman="" style="font-family:" times="">The composition of zinc chloride and Me₂biim (Me₂biim= N, N&prime;-dimethyl-2,2-&prime;-biimidazole) gave the noncoordinated ZnCl₄H₂Me₂biim polymeric complexes. In this article, the electronic and optical properties of ZnCl₄H₂Me₂biim using density functional theory (DFT) and the quantum espresso code have been investigated.</span></span> <span style="font-size:12.0pt"><span new="" roman="" style="font-family:" times="">The electronic band structure results showed that this material is a semiconductor with a direct band gap. The optical results showed that the highest static refractive index corresponds to the case where the light was applied to the material along the x-axis. According to the imaginary part of the dielectric function, the optical gap along the y-axis has the highest value. These results are in agreement with the electronic band structure results. The absorption graph showed that the highest absorption is in the UV region, and the lowest absorption is in the IR region.</span></span></span></span></span><br> <br> &nbsp; DFT, ZnCl4H2Me2biim, Optical properties, Electrical properties 7 13 http://jgp.yu.ac.ir/browse.php?a_code=A-10-41-1&slc_lang=en&sid=1 Esmaeil Pakizeh esmaeil_pakizeh@yahoo.com 100319475328460031 100319475328460031 Yes Department of Applied Chemistry, Faculty of Gas and Petroleum, Yasouj University, Gachsaran, 75918-74831, Iran