Enhancement of efficiency in organic photovoltaic devices containing self-complementary hydrogen-bonding domains

• Rohan J. Kumar,
• Jegadesan Subbiah and
• Andrew B. Holmes

Beilstein J. Org. Chem. 2013, 9, 1102–1110, doi:10.3762/bjoc.9.122

• possible modes of self-organization. In order to further investigate the plausibility of each scenario, GIAO shielding calculations were used to predict the 1H NMR chemical shifts of (i) the optimized structure of 1 (Figure 2), (ii) an anti-symmetric dimer of 2 (Figure 5a) and (iii) the same dimer