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1.
Cryst Growth Des ; 24(6): 2425-2438, 2024 Mar 20.
Article in English | MEDLINE | ID: mdl-38525103

ABSTRACT

A series of cocrystals of halogen bond donors 1,4-diiodotetrafluorobenzene (p-F4DIB) and tetraiodoethylene (TIE) with five aromatic heterocyclic diazine mono-N-oxides based on pyrazine, tetramethylpyrazine, quinoxaline, phenazine, and pyrimidine as halogen bonding acceptors were studied. Structural analysis of the mono-N-oxides allows comparison of the competitive occurrence of N···I vs O···I interactions and the relative strength and directionality of these two types of interactions. Of the aromatic heterocyclic diazine mono-N-oxide organoiodine cocrystals examined, six exhibited 1:1 stoichiometry, forming chains that utilized both N···I and O···I interactions. Two cocrystals presented 1:1 stoichiometry with exclusive O···I interactions. Two cocrystals displayed a 2:1 stoichiometry-one characterized solely by O···I interactions and the other solely by N···I interactions. We have also compared these interactions to those present in the corresponding diazines, some of which we report here and some which have been previously reported. In addition, a computational analysis using density functional theory (M062X/def2-SVPD) was performed on these two systems and has been compared to the experimental results. The calculated complex formation energies were, on average, 4.7 kJ/mol lower for the I···O halogen bonding interaction as compared to the corresponding N···I interaction. The average I···O interaction distances were calculated to be 0.15 Å shorter than the corresponding I···N interactions.

2.
Article in English | MEDLINE | ID: mdl-26030695

ABSTRACT

Microwave-oxidation treatment of sewage sludge using various oxidants was studied. Two treatment schemes with a combination of hydrogen peroxide and ozone were examined: hydrogen peroxide and ozone were introduced into the sludge simultaneously, followed by microwave heating. The other involved the ozonation first, and then the resulting solution was subjected to microwave and hydrogen peroxide treatment. The set with ozonation followed by hydrogen peroxide plus microwave heating yielded higher soluble materials than those of the set with hydrogen peroxide plus ozone first and then microwave treatment. No settling was observed for all treatments in the batch operation, except ozone/microwave plus hydrogen peroxide set at 120°C. The pilot-scale continuous-flow 915 MHz microwave study has demonstrated that microwave-oxidation process is feasible for real-time industrial application. It would help in providing key data for the design of a full-scale system for treating sewage sludge and the formulation of operational protocols.


Subject(s)
Environmental Restoration and Remediation/methods , Hydrogen Peroxide/chemistry , Microwaves , Oxidants/chemistry , Ozone/chemistry , Sewage/chemistry , Wastewater/chemistry , British Columbia , Oxidation-Reduction
3.
J Am Chem Soc ; 125(29): 8722-3, 2003 Jul 23.
Article in English | MEDLINE | ID: mdl-12862456

ABSTRACT

Single-walled carbon nanotubes have been cyclopropanated under Bingel reaction conditions, and the functionalized nanotubes have been characterized by atomic force microscopy using "chemical tagging" techniques.

4.
J Am Chem Soc ; 124(10): 2116-7, 2002 Mar 13.
Article in English | MEDLINE | ID: mdl-11878956

ABSTRACT

High-resolution transmission electron microscopy and spatially resolved electron loss spectroscopy have revealed that a eutectic mixture of AgCl and AgI crystallizes within single walled carbon nanotubes (SWNTs) as metastable AgCl(1-)(x)I(x) 1D solid solution crystals. The incorporated halide crystals form wurzite "tunnel" structures with locally varying Cl:I ratios and reduced Ag coordination.

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