Fingerprints of chiral/helical nanostructures applied to functionalized helicenes for chiral waveguides

The energy transfer and radar waves are effective thanks to optoelectronic materials. In recent technology, Helicenes, marine sponge components and helical molecules are ideal candidates for the realization of circular waveguides. A fingerprint design of four chiral/helical nanostructures of the Helicenes group has been implemented by quantum modeling. The Infrared and Raman fingerprints were elucidated on the Helicene-4N, Helicene-4O, Helicene-4S and Hexa-Helicene molecules, under the wheel of ab initio methods CP-TDHF and DFT functionals under the wavelength of 532 nm. Vibrational signatures analysis showed that identical and non-equivalent normal modes between two calculating methods of the same molecule are differently represented between two GGA exchange-correlation functional units and GGA hybrids by their overlaps sign with respect to experience and under the influence of geometry modification and vibrational intensities. This quantum modeling illustrates these Helicenes synthesis candidates of chiral waveguides.

Dr. Simplice Koudjina has been working as an Assistant Professor in Chemistry at the National University of Sciences, Technology, Engineering and Mathematics (UNSTIM) in Benin, where he works since 2019. He holds a Ph.D. degree in Theoretical Chemistry and Molecular Modeling at the University of Abomey-Calavi since 2016. He obtained M.Sc. in Nanotechnology at the University of Namur in Belgium. He then joined the research group of Prof. Guy Atohoun at the UCT2M. His fields of expertise are surface modeling and computational simulation and  molecular fingerprints. He has published more than 12 research articles in theoretical chemistry journal.