Recent Advances in Bulk Heterojunction Polymer Solar Cells

Ozonation of drinking water: part I. Oxidation kinetics and product formation.

Yuming Yang,†,§ Qiang Zhao,‡,§ Wei Feng,† and Fuyou Li*,† †Department of Chemistry and State Key Laboratory of Molecular Engineering of Polymers and Institutes of Biomedical Sciences, Fudan University, Shanghai 200433, P. R. China ‡Key Laboratory for Organic Electronics and Information Displays (KLOEID) and Institute of Advanced Materials (IAM), Nanjing University of Posts and Telecommunications, Nanjing 210046, P. R. China.

Luminescent chemodosimeters for bioimaging.

This critical review covers the advances made using the 4-bora-3a,4a-diaza-s-indacene (BODIPY) scaffold as a fluorophore in the design, synthesis and application of fluorescent indicators for pH, metal ions, anions, biomolecules, reactive oxygen species, reactive nitrogen species, redox potential, chemical reactions and various physical phenomena. The sections of the review describing the criteria for rational design of fluorescent indicators and the mathematical expressions for analyzing spectrophotometric and fluorometric titrations are applicable to all fluorescent probes (206 references).

Fluorescent indicators based on BODIPY

: The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

This review focuses on classifying different types of long wavelength absorbing BODIPY dyes based on the wide range of structural modification methods that have been adopted, and on tabulating their spectral and photophysical properties. The structure–property relationships are analyzed in depth with reference to molecular modeling calculations, so that the effectiveness of the different structural modification strategies for shifting the main BODIPY spectral bands to longer wavelengths can be readily compared, along with their effects on the fluorescence quantum yield (ΦF) values. This should facilitate the future rational design of red/NIR region BODIPY dyes for a wide range of different applications.

Structural modification strategies for the rational design of red/NIR region BODIPYs

It has long been known that the photolysis of nitrite and nitrate solutions results in the formation of OH radicals. The mechanism of NO3− photolysis has been the subject of considerable controversy in the literature, however. This review summarizes the experimental work on NO2− and NO3− photolysis in the context of recent advances in the understanding of the chemistry of the peroxynitrite anion (ONOO−) in biological experiments. ONOO− has been found to play a far more significant role in the overall reaction mechanism of NO3− photolysis than had previously been suspected. Research on NO2− and NO3− photolysis, as a pathway to the destruction of organic contaminants in natural waters, is summarized. The possible impact of NO2− and NO3− on Advanced Oxidation Technologies (AOTs), in which OH radicals are used to initiate the destruction of hazardous organic pollutants in drinking water and industrial waste streams, is explored.

Photochemistry of nitrite and nitrate in aqueous solution: a review

7.1. Synthesis 306 7.2. Spectroscopic and Redox Properties 307 7.2.1. Optical Spectroscopy 307 7.2.2. Redox Properties 310 7.2.3. Other Characterization Methods 312 8. seco-Porphyrazines 312 8.1. Synthesis 312 8.2. Spectroscopic and Redox Properties 312 8.2.1. Optical Spectroscopy 312 8.2.2. Redox Properties 313 8.2.3. Other Characterization Methods 313 9. Conclusions 313 10. Abbreviations 314 11. Acknowledgments 314 12. References 314

Low Symmetry Phthalocyanines and Their Analogues

Application of MCD spectroscopy to porphyrinoids

The application of the UV/H2O2 process to the degradation of methyl tert-butyl ether (MTBE) in dilute aqueous solution resulted in the generation of tert-butyl formate (TBF), 2-methoxy-2-methyl propionaldehyde (MMP), formaldehyde, acetone, tert-butyl alcohol (TBA), and methyl acetate as primary byproducts. Other intermediates, such as carbonyl compounds (hydroxy-iso-butyraldehyde, hydroxyacetone, pyruvaldehyde) and organic acids (hydroxy-iso-butyric, formic, pyruvic, acetic, oxalic) were also detected and quantified during the irradiation. A good organic carbon balance is obtained throughout the treatment, indicating that almost all of the intermediates have been detected. The TOC pattern shows that eventually all the organic compounds are mineralized. Various analytical techniques, such as GC/MS, GC, IC, HPLC, and TOC analysis, were employed in order to identify and quantify the organic products. The detailed reaction mechanism proposed in this study for the degradation of MTBE by •OH-driven oxidation pr...

John Mack

Papers

Structural modification strategies for the rational design of red/NIR region BODIPYs

Photochemistry of nitrite and nitrate in aqueous solution: a review

Low Symmetry Phthalocyanines and Their Analogues

Application of MCD spectroscopy to porphyrinoids

Degradation pathways during the treatment of methyl tert-butyl ether by the uv/h2o2 process