Effects of the CN and NH2 substitutions on the geometrical and optical properties of model vinylfluorenes, based on DFT calculations

• Main Authors: Wichanee Meeto, Songwut Suramitr, Vladimír Lukeš, Peter Wolschann, Supa Hannongbua
• Other Authors: Mahidol University
• Format: Article
• Published: 2018
• Subjects: Biochemistry, Genetics and Molecular Biology; Chemistry; Physics and Astronomy
• Online Access: https://repository.li.mahidol.ac.th/handle/123456789/28803

A systematic study on the structural and photo-physical properties of model bifluorenevinylene compounds based on the density functional theory (DFT) and its time-dependent (TD-DFT) version is presented. The main aim of this work is to investigate the influence of substitution on bifluorenevinylene...