Substituted m-phenylene bridges as strong ferromagnetic couplers for Cu(II)-bridge-Cu(II) magnetic interactions: new perspectives

Based on a combined theoretical-experimental study, we propose that substituted m-phenylene ligands (m-N-Phi-N) can act as tuneable strong ferromagnetic couplers connecting Cu(II) ions; a new complex presenting that bridge with J close to +15 cm(-1) has been suggested and synthesized.     

A theoretical study of π-hydrocarbon-iron tricarbonyl complexes

The molecular orbital parameters for tricarbonyl(tetrahapto-unsaturated-hydrocarbon)iron complexes are computed using graph-theoretical methods. The results are in agreement with their experimental properties.     

The effect of sampling conditions on the thermal decomposition of electrolytic manganese dioxide

The effect of sampling conditions on the decomposition of electrolytic manganese dioxide using thermal methods is reported. Significant differences were observed in the mechanism of the decomposition by simply changing the reaction environment from a closed pan to an open pan configuration. The purge gas atmosphere was also observed to influence the decomposition mechanism. As a product of the decomposition is oxygen, the change in the mechanism observed between the experimental conditions may be explained in terms of the ease of removal of oxygen from the reaction site. This revised version was published online in August 2006 with corrections to the Cover Date.     

Application of thermal analysis to study smelting reduction kinetics

A thermal analysis study on the reduction of iron oxide rich slags under different conditions is presented in this paper. The effects of important process variables such as time, temperature, lime-silica ratio, FeO level in slag etc. are discussed. It is shown that the mechanism of reduction by externally added graphite is different from that by a carbon saturated bath although the activation energy values are similar.     

On the maximum of the minimum of a sum

LetB denote the closure of a bounded open set of points inE ⁿ with Jordan content |B|>0 and letc>0 be constant. Typical of the expressions considered is $$M(N,c) = \max _{\left\{ {x_j } \right\}} \min _{x \in B} \sum\limits_{j = 1}^N {\left| {x - x_j } \right|^{ - c} } ,x_j \in E^n$$ Together with its analogs and extensions, the problem forc has a long history, associated with the names of Fekete, Leja, Pólya, Szegö, Frostman and Carleson, to mention just a few. It involves the notions of generalized capacity, transfinite diameter, and equilibrium potential. Here we consider the casec≧n and its extensions, for which the prior history seems less comprehensive. Illustrative of the results obtained are the three equations $$\mathop {\lim }\limits_{N \to \infty } \frac{{M(N,n)}}{{N\log N}} = \frac{{\omega (n)}}{{\left| B \right|}},\mathop {\lim }\limits_{N \to \infty } \frac{{M(N,c)}}{{N^{{c \mathord{\left/ {\vphantom {c n}} \right. \kern-\nulldelimiterspace} n}} }} = \frac{{L(n,c)}}{{\left| B \right|^{{c \mathord{\left/ {\vphantom {c n}} \right. \kern-\nulldelimiterspace} n}} }},\mathop {\lim }\limits_{c \to \infty } L(n,c)^{{1 \mathord{\left/ {\vphantom {1 c}} \right. \kern-\nulldelimiterspace} c}} = \mathop {\lim }\limits_{N \to \infty } \frac{{\left( {\left| B \right|/N} \right)^{{1 \mathord{\left/ {\vphantom {1 n}} \right. \kern-\nulldelimiterspace} n}} }}{{\varrho (N)}}$$ In the firstc=n and ω (n) is the volume of the unit ball. In the secondc>n and existence of the limit is asserted, 0<L(n,c)<∞. In the third, ? (N) is the smallest value such thatN spheres of radius ? (N) can coverB. The results would be unchanged if we requiredx _j ∈B instead ofx _j ∈E ⁿ in the definition ofM(N, c).     

Crystal and molecular structure ofS-methyl(pentafluorosulfanyl)thiocarbamate

The X-ray structure of S-methyl(pentafluorosulfanyl)thiocarbamate, SF₅NHC(O)SCH₃, has been determined from three-dimensional diffractometer data and refined by full-matrix least-squares techniques. The crystals are monoclinic:P2₁/m,a=5.008 (5),b=7.811 (2),c=9.348 (4) Å, =99.08 (7)°, andZ=2; finalR=0.046 for 517 observed reflections. The structure comprises hydrogen-bonded (NHO) chains with the component monomers in thecis, cis-conformation, i.e., the arrangement of the nonhydrogen and nonfluorine atoms is nearly planar, the SF₅ group and the O are in acis position with respect to the C-NH bond, and the O and the CH₃ group are in acis position with respect to the C(O)-S bond. Theoretical methods including MNDO and molecular modeling were used to study the relative stabilities of the four possible conformations of SF₅NHC(O)SCH₃.