Spectroscopic and Theoretical Studies of Some New Donor Acceptor Molecular Systems Structure Directed Photophysical Propertie

Abstract

The development of efficient organic and#960;-conjugated materials including small molecules and polymers together with luminescent properties in the solid-state as well as solution-state has been an appealing field in recent decades, primarily due to their effective utilization in electronic and optoelectronic devices. The efficient organic conjugated molecules have recently attracted a great deal of attention not only from experimentalists but also from theoreticians. Spectroscopic techniques, coupled with theoretical calculations are becoming the most important combined tool to explore the structure-property relationship of the molecules. and#960;-conjugated organic materials consisting of an electron-rich (donor) and electron-poor (acceptor) groups have been prepared for various applications. Dicyano conjugated aromatic (DC) molecules have been studied and used because of its broad applications, starting from biological to as NIR probe. Particularly DC is used as a vibrational probe for various processes because of ease in monitoring the cyano stretch frequency which appears prominently in a frequency region unaffected by other vibrations in a molecule. Towards these goals, we have synthesized a series of dicyano derivatives, fully characterized, and high-resolution Raman spectroscopic investigation has been performed. The experimental vibrational spectra have been analyzed with the help of detailed DFT calculation. We anticipate that our results will help researchers to understand better the vibrational spectra of dicyano molecules in a complex system such as in the biological medium newline