Naphthoyl-Thiourea Thin Film as Potential OLED Featuring Methyl Pyridine Moiety

Abstract

Thiourea derivatives have attracted great attention as potential materials to be used in molecular electronics application due to their fairly rigid p-system properties. Thus, in this studyN-((6-metylpyridin-3-yl)carbamothioyl)-1-naphtamide (NT) has been successfully designed, synthesized and characterized by typical spectroscopic techniques namely Infrared Spectroscopy (IR),1H and13C Nuclear Magnetic Resonance (NMR), UV-Vis, Four Point Probe to measure its conductivity and finally ab initio quantum mechanical evaluation at the theoretical level of DFT B3LYP/6-31G (d,p). In turn, NT was coated on the ITO substrate by using electrochemical deposition method. The electrical conductivity of this compound as a thin film exhibited good and ideal result which was 1.7x10-4Scm-1. Owing to this outstanding result, this single molecular system candidate has wide possibilities to be applied in many molecular rectification applications such as Organic Light Emitting diodes (OLED). Further investigation can be carried out by conducting and analyse the I-V curve to measure the efficiency of this compound and other similar molecular frameworks in the near future.

Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study

“…Besides, certain thiourea derivatives have been considered as new OLED materials [20,85,86]. This has motivatived us to investigate transport properties of the title molecule using the Marcus semi-empiric approach.…”