Mechanism of interaction of pyrite with hematite as simulation of slagging and fireside tube wastage in coal combustion

Iron-bearing minerals have been recognised as a mayor source of fire-side wall slagging in pulverised fuel boilers, which not only reduces the thermal efficiency of heat transfer of the exchangers surface, but also affects its integrity as a result of corrosion and erosion. Nevertheless, the root cause of adhesion and growing of deposits has not been clearly addressed. Our approach suggests that differential scanning calorimetry (DSC) combined with simultaneous thermogravimetry can follow the chemical reaction between pyrite and the outer layer of iron oxide on tubewalls. The changes in composition are followed by X-ray diffraction (XRD). The results indicated that the mechanism of wetting and adherence of molten pyrite over iron oxides is chemically induced: both di and mono iron sulphides interact with the oxide layer, changing the oxidation state of iron in oxide scale, from hematite to magnetite. This would imply a change in the protective ability of the scale as well as a great increment in corrosion tendency.     

Catalytic Enantioselective Synthesis of N,Cα,Cα‐Trisubstituted α‐Amino Acid Derivatives Using 1H‐Imidazol‐4(5H)‐ones as Key Templates

1H‐Imidazol‐4(5H)‐ones are introduced as novel nucleophilic α‐amino acid equivalents in asymmetric synthesis. These compounds not only allow highly efficient construction of tetrasubstituted stereogenic centers, but unlike hitherto known templates, provide direct access to N‐substituted (alkyl, allyl, aryl) α‐amino acid derivatives.     

Exchange and correlation effects in electronic excitations of Cu(2)O

State-of-the-art theoretical methods fail in describing the optical absorption spectrum, band gap, and optical onset of Cu(2)O. We have extended a recently proposed self-consistent quasiparticle approach, based on the GW approximation, to the calculation of optical spectra, including excitonic effects. The band structure compares favorably with our present angle-resolved photoemission measurements. The excitonic effects based on these realistic band structure and screening provide a reliable optical absorption spectrum, which allows for a revised interpretation of its main structures.     

Non-Normal Pairs of Non-Euclidean Crystallographic Groups

Let be a non-Euclidean crystallographic group. is said tobe non-maximal if there exists a non-Euclidean crystallographicgroup ' such that ' and the dimension of the Teichmüllerspace of equals the dimension of the Teichmüller spaceof '. The full list of such pairs of groups is computed in thecase when is non-normal in '. The corresponding problem forFuchsian groups was solved by Singerman. 2000 Mathematics SubjectClassification 20H10 (primary), 30F10 (secondary).     

Synthesis of Polysubstituted Iodoarenes Enabled by Iterative Iodine‐Directed para and ortho C−H Functionalization

Among halogenated aromatics, iodoarenes are unique in their ability to produce the bench‐stable halogen(III) form. Earlier, such iodine(III) centers were shown to enable C?H functionalization ortho to iodine via halogen‐centered rearrangement. The broader implications of this phenomenon are explored by testing the extent of an unusual iodane‐directed para C?H benzylation, as well as by developing an efficient C?H coupling with sulfonyl‐substituted allylic silanes. Through the combination of the one‐shot nature of the coupling event and the iodine retention, multisubstituted arenes can be prepared by sequentially engaging up to three aromatic C?H sites. This type of iodine‐based iterative synthesis will serve as a tool for the formation of value‐added aromatic cores.     

AuI-Catalyzed Haloalkynylation of Alkenes

The formal insertion of alkenes into aromatic chloro- and bromoalkynes takes place under cationic gold catalysis. This haloalkynylation reaction can be performed with cyclic, gem-disubstituted and monosubstituted alkenes, using BINAP, triazolo[4,3-b]isoquinolin-3-ylidene ligands or SPhos, respectively. The products were isolated in moderate to excellent yields and with complete diastereo- and regioselectivity; the halogen atom bonding the more substituted carbon of the alkene. Preliminary experiments showed that the enantioselective haloalkynylation of cyclopentene can be performed with (S)-BINAP to afford the insertion products with moderate to good enantioselectivities.     

Regioselective halogenation of pyridinium N-(benzoazynyl) aminides as a way to produce N-benzyl-α-aminobenzoazines

The halogenation of pyridinium N-(benzoazynyl) aminides with N-halosuccinimides provides a mild and regioselective method to functionalize the negatively charged diazine moiety in most cases. In some examples, however, formation of other products is explained. Finally, alkylation of the exocyclic nitrogen and reduction of the N–N bond provides a simple and straightforward strategy to obtain functionalized N-benzyl-benzoazynyl-α-amines.