Introduction Noncovalent interactions modulate the structure, function, and dynamics of the molecules of life [1]. We have discovered a noncovalent interaction in proteins and nucleic acids, termed the n→π* interaction, in which the lone pair (n) of a donor group (typically a carbonyl oxygen) overlaps with the antibonding orbital (π*) of an acceptor group (typically a carbonyl group) (Figures 1...

In the current study, a direct method was used to synthesize new series of charge-transfer complex compounds. Reaction different quinones with 3,4-selenadiazo benzophenone in 1:1 mole ratio by acetonitrile gave unique compound good yield. All compounds were characterized UV-Vis, FTIR, 1H-NMR, and 13C-NMR. The analysis findings agreed produced compound’s proposed chemical structures. molecular s...

Alkyl chains engineering plays an important role in photovoltaic materials for organic solar cells. Herein, three A-DA'D-A (acceptor–donor–acceptor'–donor–acceptor) type acceptors named Y6, Y6-C4, and Y6-C5 with different branching position on the pyrrole motif are discussed relationship between molecular aggregation, crystalline, device performance systematically investigated. The distance mai...

In this study, the adsorption of 4-hydroxy phenyl-azobenzene on the surface of (4, 0) zigzag open-end boron nitride nanotube (BNNT) has been investigated by quantum calculations. In order to find the preferred adsorption site, different positions and orientations were considered. The impacts of donor-acceptor electron delocalization on the structural and electronic properties and reactivity of ...