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Bulletin of the Chemical Society of Japan

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Web Release Date: February 4, 2012 (No. 2 issue in press)
   Web Release Date: February 4, 2012
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
[Full Text PDF(J-STAGE)]

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.


   Web Release Date: February 4, 2012
Temperature Effect on the Reorientational Correlation Time of Water in Formamide– and N,N-Dimethylformamide–Water Mixtures
 Masaki Okada, Kazuyasu Ibuki, and Masakatsu Ueno
[Full Text PDF(J-STAGE)]

In FA-d3–D2O mixtures, τc 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 τc. On the other hands, τc 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.


   Web Release Date: February 4, 2012
A Theoretical Study on Synthesis Mechanism of fac-[Ir(ppy)3] from [Ir(acac)3] in the Presence of Brønsted Acids and Water Molecules
 Kazuaki Yoshimura, Hiroshi Miyazaki, Shinji Matsuo, Hiromi Hashimoto, Takumi Hori, Yoshihiro Yamaguchi, Michinori Sumimoto, and Kenji Hori
[Full Text PDF(J-STAGE)]

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.


Web Release Date: January 28, 2012 (No. 2 issue in press)
   Web Release Date: January 28, 2012
Exploration of Boundary between Charge-Density-Wave and Mott–Hubbard States in Quasi-One-Dimensional Halogen-Bridged Metal Complexes
 Shinya Takaishi
[Full Text PDF(J-STAGE)]

We have quested for phase boundary in bromo-bridged Pd compounds by decreasing Pd···Pd distance by using chemical pressure. It has been revealed that CDW and MH states are stabilized when Pd···Pd distances is longer and shorter than 5.26 Å.


   Web Release Date: January 28, 2012
Orbital Views on Electron-Transport Properties of Cyclophanes: Insight into Intermolecular Transport
 Xinqian Li, Aleksandar Staykov, and Kazunari Yoshizawa
[Full Text PDF(J-STAGE)]

The applicability of a derived concept for orbital control of electron transport is tested on the molecule with intermolecular interactions to estimate its predictive power. Connection meta for effective electron transport can be predicted by the molecular orbital analysis.


   Web Release Date: January 28, 2012
Subphthalocyanine Derivatives Having a Phosphorus Group as an Axial Substituent
 Yasuhiro Yamasaki and Tomohiro Mori
[Full Text PDF(J-STAGE)]

Synthesis and characteristics of novel subphthalocyanine (subpc) derivatives having an axially substituted phosphorus group are reported. The subpc has excellent solubility, and using it as optical dye composite in optical films does not impair the excellent properties of the original subpc.


   Web Release Date: January 28, 2012
Strecker-Type Reaction of Nitrones Using Cyanohydrin
 Takahiro Sakai, Takahiro Soeta, Katsuhiko Inomata, and Yutaka Ukaji
[Full Text PDF(J-STAGE)]

Strecker-type reaction of nitrones using acetone cyanohydrin was developed. Transformation of acetone cyanohydrin into its chloromagnesium salt by treating with n-BuMgCl was effective to afford the corresponding α-cyanohydroxylamines in up to 98% yields.


   Web Release Date: January 28, 2012
Dynamical Electron Mechanism of Double Proton Transfer in Formic Acid Dimer
 Michihiro Okuyama and Kazuo Takatsuka
[Full Text PDF(J-STAGE)]

The dynamical electron mechanism and electron pathways in double “proton” transfer reaction in formic acid dimer are identified. The reaction proceeds as though the net electronic flow is kept as low as possible.


   Web Release Date: January 28, 2012
Synthesis and Solid-State Polymerization of Butadiyne Derivatives with Trialkoxyphenylurethane Groups
 Rintaro Takahashi, Tatsuya Nunokawa, Tadahiro Shibuya, Ryohei Tomita, Yoko Tatewaki, Shuji Okada, Tatsumi Kimura, Satoru Shimada, and Hiro Matsuda
[Full Text PDF(J-STAGE)]

Butadiyne derivatives below were polymerizable in the crystalline state. Chloroform-soluble polymers were obtained for dodecyl derivatives.


   Web Release Date: January 28, 2012
Development of Nondestructive and Quantitative Elemental Analysis Method Using Calibration Curve between Muonic X-ray Intensity and Elemental Composition in Bronze
 Kazuhiko Ninomiya, Takashi Nagatomo, Kenya Kubo, Takashi U. Ito, Wataru Higemoto, Makoto Kita, Atsushi Shinohara, Patrick Strasser, Naritoshi Kawamura, Koichiro Shimomura, Yasuhiro Miyake, and Tsutomu Saito
[Full Text PDF(J-STAGE)]

A quantitative elemental analysis method of a bulk material by detecting the high-energy X-rays emitted from muonic atoms was established. Using this method, elemental composition of an ancient Chinese coin was quantitatively determined without sample destruction.

Web Release Date: January 7, 2012 (No. 1 issue in press)
   Web Release Date: January 7, 2012
Control of the Equilibrium between 2-Phosphinoazobenzenes and Inner Phosphonium Salts by Heat, Solvent, Acid, and Photoirradiation
 Masaki Yamamura, Naokazu Kano, and Takayuki Kawashima
[Full Text PDF(J-STAGE)]

2-(Diphenylphosphino)azobenzenes bearing various substituents, which are in equilibrium with inner phosphonium salts, were synthesized. Substituents, solvents, heat, and acidic additives affected their equilibria. The properties and reactivity of the phosphonium salts in equilibrium with the phosphines can be successfully controlled by photoirradiation.


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