DONOR-ACCEPTOR INTERACTIONS OF NITROGEN

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...

Donor-acceptor phthalocyanine nanoaggregates.

A novel donor-acceptor bisphthalocyanine (bis-Pc, 1) in which two different Pc units (Zn(II)-Pc and Ni(II)-Pc) are linked via vinylene spacers to the pseudopara positions of a central [2.2]paracyclophane moiety is described. The synthesis of 1 is achieved by two successive Heck reactions of pseudopara-divinyl[2.2]paracyclophane 9 with, sequentially, a zinc(II)- and a nickel(II)-iodophthalocyani...