Prediction of reduction potentials from calculated electron affinities for metal-salen compounds

• Sarah B. Bateni,
• Kellie R. England,
• Anthony T. Galatti,
• Handeep Kaur,
• Victor A. Mendiola,
• Alexander R. Mitchell,
• Michael H. Vu,
• Benjamin F. Gherman and
• James A. Miranda

Beilstein J. Org. Chem. 2009, 5, No. 82, doi:10.3762/bjoc.5.82

• could be used to predict the reduction potentials of a variety of metal-salen compounds, an important class of coordination compounds used in synthetic organic electrochemistry as electrocatalysts. Keywords: density functional theory; electron affinity; metal-salen; reduction potential; Introduction

• discover if there were other metal-salen compounds that also fall within an “electrochemical potential window” in which effective ERC would occur. The electrochemistry of a few metal-salens is known in the literature; however, there are a great many possible metal-salens that we would like to investigate

• as electrocatalysts that have unknown electrochemistry. Fry demonstrated that the density functional B3LYP/6-31G(d) level of theory can be used to accurately predict the reduction potentials for a series of chalcones [7]. The electron affinities (EAs) of a training set of 29 monosubstituted chalcones

A convenient method for preparing rigid-core ionic liquid crystals

• Julien Fouchet,
• Laurent Douce,
• Benoît Heinrich,
• Richard Welter and
• Alain Louati

Beilstein J. Org. Chem. 2009, 5, No. 51, doi:10.3762/bjoc.5.51

• -arylation of imidazole as a means of expanding the aromatic core and obtaining unsymmetrical imidazolium liquid crystals (Scheme 1). We also describe the influence of the counter anion on the mesomorphism, electrochemistry and the UV properties of these imidazolium salts. Results and Discussion Synthesis

Synthesis of mesogenic phthalocyanine-C₆₀ donor–acceptor dyads designed for molecular heterojunction photovoltaic devices

• Yves Henri Geerts,
• Olivier Debever,
• Claire Amato and
• Sergey Sergeyev

Beilstein J. Org. Chem. 2009, 5, No. 49, doi:10.3762/bjoc.5.49

• was controlled by a Linkam Scientific Instruments GS350 hot stage. For DSC, a Perkin Elmer Diamond DSC calorimeter was used. Electrochemistry. Cyclic voltammetry experiments were performed with a computer controlled Autolab potentiostat. Measurements were carried out at room temperature in a three

Synthesis and redox behavior of new ferrocene- π-extended- dithiafulvalenes: An approach for anticipated organic conductors

• Abdelwareth A. O. Sarhan,
• Omar F. Mohammed and
• Taeko Izumi

Beilstein J. Org. Chem. 2009, 5, No. 6, doi:10.3762/bjoc.5.6

• product was identified as 1,1′-bis(1,3-DTF)Fc 11 in 24% yield in addition to the (1,3-DTF)Fc 12 as a major product (76% isolated yield) (Scheme 4). Electrochemistry The electrochemical redox properties of the newly synthesized Fc-DTFs 9 and 12, the 1,1′-bis(1,3-DTF)Fc’s 8, 10, 11, and the acylferrocenes

• . Their electrochemistry was studied and compared to the previously reported derivative 9. In CH2Cl2 on a Pt electrode and at ambient temperature, compound 12 showed two oxidation waves associated with two reduction waves with peak potentials of 698, 1158 mV at scan rates 100 mV s−1. In contrast the

Study of thioglycosylation in ionic liquids

• Jianguo Zhang and
• Arthur Ragauskas

Beilstein J. Org. Chem. 2006, 2, No. 12, doi:10.1186/1860-5397-2-12

• ILs can be used in place of conventional organic solvents in synthesis, catalysis, electrochemistry, and liquid/liquid extractions.[1] Commonly reported ILs rely on organic cations, including: tetraalkylammonium, tetraalkylphosphonium, N-alkylpyridinium, 1,3-dialkylimidazolium, or trialkylsulfonium