Testing soft donor-acceptor intermolecular interactions with high pressure

Tailored donor-acceptor polymers with an A-D1-A-D2 structure: controlling intermolecular interactions to enable enhanced polymer photovoltaic devices.

Extensive efforts have been made to develop novel conjugated polymers that give improved performance in organic photovoltaic devices. The use of polymers based on alternating electron-donating and electron-accepting units not only allows the frontier molecular orbitals to be tuned to maximize the open-circuit voltage of the devices but also controls the optical band gap to increase the number o...

Reduced electronic spaces for modeling donor/acceptor interactions.

Diabatic states for donor (D) and acceptor (A) interactions in electron transfer (ET) processes are formulated and evaluated, along with coupling elements (H(DA)) and effective D/A separation distances (r(DA)), for reduced electronic spaces of variable size, using the generalized Mulliken Hush model (GMH), applicable to an arbitrary state space and nuclear configuration, and encompassing Robin-...

Aromatic Donor-Acceptor Interactions: Bridging Abiotic and Peptide Folding

A Donor–Acceptor Perspective on Carbonyl–Carbonyl Interactions in Proteins

Electronic delocalization, a central concept in organic chemistry, is being invoked increasingly in biological contexts [1–3]. We have discovered a non-covalent interaction in proteins, termed the n→π* interaction, in which the lone pair (n) of the oxygen (Oi–1) of a peptide bond overlaps with the antibonding orbital (π*) of the carbonyl group (C′i=Oi) of the subsequent peptide bond (Figure 1A,...

Aromatic donor-acceptor interactions in non-polar environments.

We have evaluated the strength of aromatic donor-acceptor interactions between dialkyl naphthalenediimide and dialkoxynaphthalene in non-polar environments. (1)H NMR, UV-vis spectroscopy and isothermal titration calorimetry were used to characterise this interaction. We concluded that the strength of donor-acceptor interactions in heptane is sufficient to drive supramolecular assemblies in this...