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Full-Text Articles in Physical Sciences and Mathematics
The Effect Of Distance And Angle On Electronic Couplings Between F8bt-Based Oligomers, Jacob H. Wat
The Effect Of Distance And Angle On Electronic Couplings Between F8bt-Based Oligomers, Jacob H. Wat
DePaul Discoveries
Organic semiconductors are often used as light-absorbers in photovoltaic devices and studying the energy flow through these materials is an important field of research. The energy flow is controlled by electronic coupling between the organic semiconductor molecules, which is affected by the distance between the molecules and their relative orientation. Here we calculated the couplings as a function of distance and relative orientation based on semi-empirical calculations of the low-lying excited states of pairs of organic semiconductor molecules. We showed that as distance increased, electronic couplings approach zero. Electronic couplings calculated as a function of rotation were maximized as the …
Synthesis Of A Bipyridine Ligand For Metal-Triggered Supramolecular Polymers, Andrew D. Gould
Synthesis Of A Bipyridine Ligand For Metal-Triggered Supramolecular Polymers, Andrew D. Gould
DePaul Discoveries
Intermolecular forces, such as H-bonding, ionic interactions and metal chelation between small molecules, can lead to the assembly of higher-order supramolecular nanostructures. A metal chelator, 2-(Pyridin-2-yl) pyridine-5-carboxylic Acid (a bipyridine derivative), is expected to aid in the formation of supramolecular structures as part of amphiphilic molecules that self-assemble in solution in the presence of metal ions. The bipyridine ligand currently under synthesis can be prepared through a five-step synthesis scheme. The second reaction of this synthesis (the coupling of two pyridine rings) resulted in a combination of the desired 1,2,5-isomer, as well as an unforeseen 1,2,3-isomer. Future research will therefore …