Study of structural, optical properties and electronic structure of PTCDI-C5 organic nanostructure

WOS: 000418590200003 This work reports the change in the structural, electronic, spectroscopic and optical properties of N,N'-Dipentyl-3,4,9,10-perylenedicarboximide (PTCDI-C5) small molecule via experimental and theoretical techniques. Experimental and simple models were taken into consideration to calculate the refractive index (n) of PTCDI-C5 from its energy gap (E-g) data. Electrical conductance was recorded. UV, FT-IR and FT-Raman spectra characteristics and the electronic properties of PTCDI-C5 were also recorded time-dependent (TD) DFT approach based on optimized structure with different solvent environments. The results herein obtained reveal that PTCDI-C5 material is suitable for UV and chemical sensors due to its good optoelectronic paramaters. (C) 2017 Elsevier B.V. All rights reserved. Management Unit of Scientific Research Projects of Mus Alparslan University (MUSBAP)Mus Alparslan University [0001] The numerical calculations reported in this paper were partially performed at TUBITAK ULAKBIM, High Performance and Grid Computing Centre (TRUBA resources). This study was supported by The Management Unit of Scientific Research Projects of Mus Alparslan University (MUSBAP) under Project 0001.