Field-stepwise-swept solid-state 127I NMR of 1,4-diiodobenzene.

Field-stepwise-swept solid-state 127I NMR experiments of 1,4-diiodobenzene, C6H4I2, applied to a Zeeman-perturbed NQR region, have been presented. A series of QCPMG measurements is performed at T = 90 K with resonant frequencies of 271 MHz in the range of magnetic fields from 2.5 T to zero with the interval of 12 mT. The spectral simulation, in which a numerical calculation involves the diagonalization of the combined Zeeman-quadrupolar Hamiltonian, provides quadrupole coupling constant (CQ) = 1863(5) MHz and the asymmetry parameter (ηQ) = 0.04(2). The 127I NQR spectrum is observed at T = 90 K, which is consistent in the above experimental results.

The diiodomethyl-sulfonyl moiety: an unexplored halogen bond-donor motif.

Herein, we report the crystal structures of the antimicrobial agent diiodomethyl-p-tolylsulfone and of three halogen bonded co-crystals demonstrating that the bioactive moiety -SO2CHI2 can function as a quite effective halogen bond based motif in the solid state and in solution, namely demonstrating that α-iodosulfones may become a new entry in the quite small group of alkyl-iodides functioning as reliable halogen bond-donors.

Low-density graphitic films prepared from iodine-doped enzymatically synthesized amylose films as carbonization precursors.

We have developed a novel approach for preparing low-density graphitic films using iodine-doped enzymatically synthesized amyloses (ESAs) with strictly controlled molecular weights as carbonization precursors. All of the iodine-doped ESA films retained their film structures and morphologies, even after the heat-treatment at 800 °C and 2600 °C. Therefore, iodine doping plays an indispensable role in retaining film structure and morphology during the carbonization of ESA polysaccharides. It was also elucidated that the carbonization yields of the ESA films can be controlled by changing the conditions of iodine doping process. The bulk densities of the graphitic films are varied from 0.08 to 0.42 g/cm3 dependent on the doping level. In addition, the capacitance performances of the graphite films prepared from the ESAs are investigated using cyclic voltammetry and galvanostatic charge/discharge procedures. The potential utility of the carbonized and graphitized ESA films for supercapacitors was revealed. This approach may broaden the application and even the swill processing of polysaccharides.

Rapid Synthesis of D-A'-π-A Dyes through a One-Pot Three-Component Suzuki-Miyaura Coupling and an Evaluation of their Photovoltaic Properties for Use in Dye-Sensitized Solar Cells.

Twenty-four D-A'-π-A dyes were rapidly synthesized through a one-pot three-component Suzuki-Miyaura coupling reaction, which was assisted by microwave irradiation. We measured the absorption spectra, electrochemical properties, and solar-cell performance of all the synthesized dyes. The D5 πA4 dye contained our originally designed rigid and nonplanar donor and exerted the highest efficiency at 5.4 %. The short-circuit current (Jsc ) was the most important parameter for the conversion efficiency (η) in the case of the organic D-A'-π-A dyes. Optimal ranges for the D-A'-π-A dyes were observed for high values of Jsc /λmax at λ=560-620 nm, an optical-absorption edge of λ=690-790 nm, and EHOMO and ELUMO values of <1.14 and -0.56 to -0.76 V, respectively.

Rapid Synthesis of Thiophene-Based, Organic Dyes for Dye-Sensitized Solar Cells (DSSCs) by a One-Pot, Four-Component Coupling Approach.

This one-pot, four-component coupling approach (Suzuki-Miyaura coupling/C-H direct arylation/Knoevenagel condensation) was developed for the rapid synthesis of thiophene-based organic dyes for dye-sensitized solar cells (DSSCs). Seven thiophene-based, organic dyes of various donor structures with/without the use of a 3,4-ethylenedioxythiophene (EDOT) moiety were successfully synthesized in good yields based on a readily available thiophene boronic acid pinacol ester scaffold (one-pot, 3-step, 35-61%). Evaluation of the photovoltaic properties of the solar cells that were prepared using the synthesized dyes revealed that the introduction of an EDOT structure beside a cyanoacrylic acid moiety improved the short-circuit current (Jsc) while decreasing the fill factor (FF). The donor structure significantly influenced the open-circuit voltage (Voc), the FF, and the power conversion efficiency (PCE). The use of a n-hexyloxyphenyl amine donor, and our originally developed, rigid, and nonplanar donor, both promoted good cell performance (η=5.2-5.6%).

Elucidating the structure-property relationships of donor-π-acceptor dyes for dye-sensitized solar cells (DSSCs) through rapid library synthesis by a one-pot procedure.

The creation of organic dyes with excellent high power conversion efficiency (PCE) is important for the further improvement of dye-sensitized solar cells. We wish to describe the rapid synthesis of a 112-membered donor-π-acceptor dye library by a one-pot procedure, evaluation of PCEs, and elucidation of structure-property relationships. No obvious correlations between ε, and the η were observed, whereas the HOMO and LUMO levels of the dyes were critical for η. The dyes with a more positive E(HOMO), and with an E(LUMO)<-0.80 V, exerted higher PCEs. The proper driving forces were crucial for a high J(sc), and it was the most important parameter for a high η. The above criteria of E(HOMO) and E(LUMO) should be useful for creating high PCE dyes; nevertheless, that was not sufficient for identifying the best combination of donor, π, and acceptor blocks. Combinatorial synthesis and evaluation was important for identifying the best dye.

Commemorating two centuries of iodine research: an interdisciplinary overview of current research.

Iodine was discovered as a novel element in 1811 during the Napoleonic Wars. To celebrate the bicentennial anniversary of this event we reflect on the history and highlight the many facets of iodine research that have evolved since its discovery. Iodine has an impact on many aspects of life on Earth as well as on human civilization. It is accumulated in high concentrations by marine algae, which are the origin of strong iodine fluxes into the coastal atmosphere which influence climatic processes, and dissolved iodine is considered a biophilic element in marine sediments. Iodine is central to thyroid function in vertebrates, with paramount implications for human health. Iodine can exist in a wide range of oxidation states and it features a diverse supramolecular chemistry. Iodine is amenable to several analytical techniques, and iodine compounds have found widespread use in organic synthesis. Elemental iodine is produced on an industrial scale and has found a wide range of applications in innovative materials, including semiconductors--in particular, in solar cells.

Partial nitritation treatment of underground brine waste with high ammonium and salt content.

Underground brine waste containing high concentrations of ammonium and with a salinity of 3% is usually generated during the production of methane gas and iodine in the gas field of Chiba Prefecture, Japan. In this study, one swim-bed reactor, packed with a novel acrylic fiber biomass carrier (Biofringe), was applied to the partial nitritation treatment of this kind of underground brine waste. A stable nitrite production rate of 1.6 kg NO(2)-N m(-3) d(-1) was obtained under a nitrogen loading rate of 3.0 kg-N m(-3) d(-1), at a pH of 7.5 and a temperature of 25 degrees C. Nitrate production was negligible and the effluent NO(2)-N/NO(x)-N ratio was above 98% due to the successful inhibition of nitrite-oxidizing bacterial activity. Free ammonia was considered to be the main factor for inhibiting the activity of nitrite-oxidizing bacteria. A microbial community shift was demonstrated by 16S rRNA analysis, and it was shown that the ammonium-oxidizing bacteria became the predominant species after successful nitrite accumulation was observed.

Disinfection of microorganisms by use of electrochemically regenerated periodate.

A new method for disinfection of microorganisms by electrochemically regenerated periodate was developed. Oxidation of iodate to periodate was observed at 1.25 V versus a silver/silver chloride electrode in a cyclic voltammogram of potassium iodate. When 1.25 V was applied in 1.0 mM potassium iodate, approximately 4-log inactivation of Escherichia coli was observed in 30 min.