Synthesis of the reported structure of piperazirum using a nitro-Mannich reaction as the key stereochemical determining step

• James C. Anderson,
• Andreas S. Kalogirou,
• Michael J. Porter and
• Graham J. Tizzard

Beilstein J. Org. Chem. 2013, 9, 1737–1744, doi:10.3762/bjoc.9.200

• chemical synthesis, guided by GIAO chemical shift prediction, is currently underway in an effort to elucidate the correct structure for piperazirum. In addition the determination of further biological activity of 2 and its diastereoisomers will be investigated. Experimental Unless otherwise stated, all

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