Bulletin of the Chemical Society of Japan Vol. 85 No. 2

Stable Axial Chirality in Metal Complexes Bearing 4,4′-Substituted BIPHEPs: Application to Catalytic Asymmetric Carbon–Carbon Bond-Forming Reactions

Kohsuke Aikawa, Yoshitaka Miyazaki and Koichi Mikami — Sat, 4 Feb 2012

Not only electronic but also steric effects of 4,4′-substituents in BIPHEP derivatives are shown to influence the stability of the biphenyl single bond rotation. These enantiopure dicationic BIPHEP–Pd complexes can be employed for catalytic asymmetric carbon–carbon bond-forming reactions.

Temperature Effect on the Reorientational Correlation Time of Water in Formamide– and N,N-Dimethylformamide–Water Mixtures

Masaki Okada, Kazuyasu Ibuki and Masakatsu Ueno — Sat, 4 Feb 2012

In FA-d₃–D₂O mixtures, τ_c of D₂O increases with increasing FA content except for the water-rich region at 5 °C, where a shallow minimum appears in the composition dependence of τ_c. On the other hands, τ_c in DMF–D₂O mixtures increases significantly with an addition of DMF and then decreases after a maximum at about 40 mol % of DMF at each temperature.

A Theoretical Study on Synthesis Mechanism of fac-[Ir(ppy)3] from [Ir(acac)3] in the Presence of Brønsted Acids and Water Molecules

Sat, 4 Feb 2012

The reaction mechanism to form fac-[Ir(ppy)₃] from [Ir(acac)₃] under the presence of Brønsted acids and water molecules was investigated at the B3LYP/SDD level of theory.