A catalogue of isomerization transformations of fullerene polyhedra

Representation of isomerization and carbon insertion or extrusion mechanisms as patch replacements on a fullerene surface allows construction of a catalogue of topologically distinct local transformations of fullerenes, classified by patch boundary and pentagon content. All isomerization patches and isomerization pairs containing up to five pentagons and with an upper limit for the boundary length depending on the number of pentagons are listed. Several infinite series of transformations are identified.     

The four-electron diamagnetic ring current of porphycene

Porphycene, an isomer that can replace porphin in chemical and biochemical contexts, is predicted by ab initio calculation to exhibit a global diatropic pi ring current with bifurcation across the four pyrrole units of the macrocycle. Analysis of the orbital contributions to the current density in porphycene reveals that the global current, with its bifurcation feature, is attributable to the four electrons of the near-degenerate HOMO levels, the same set of active electrons that feature in the well-known four-orbital model of the electronic spectra of porphyrins. Integration of the current density gives 1H, 13C and 15N NMR shieldings that are compatible with the observed low-field shifts of peripheral and bridge protons and high-field shift of the internal NH protons, assignment of the 13C NMR spectrum and the single average 15N chemical shift resulting from rapid NH tautomerism. Geometries were calculated with the DFT B3LYP functional, the current density maps were calculated with the ipsocentric coupled-Hartree-Fock CTOCD-DZ method, and the shieldings with the CTOCD-PZ2 variant, all in the same 6-31G** basis.     

Evidence for changing of cosmic ray composition between 10(17) and 10(18) eV from multicomponent measurements

The average mass composition of cosmic rays with primary energies between 10(17) and 10(18) eV has been studied using a hybrid detector consisting of the High Resolution Fly's Eye (HiRes) prototype and the MIA muon array. Measurements have been made of the change in the depth of shower maximum and the muon density as a function of energy. The results show that the composition is changing from a heavy to lighter mix as the energy increases.     

Upstream access and local customer networking in passive optical networks using a single wavelength-seeded reflective semiconductor optical amplifier

A scheme for upstream transmission and local area network emulation in passive optical networks using a single reflective semiconductor optical amplifier placed at the customer premises is proposed and experimentally demonstrated. In this scheme, two optical carriers are delivered to the optical network units from the central office for the transmission of upstream and local area network signals, respectively.     

On the role of the microporous layer in PEMFC operation

The condition of liquid water breakthrough at the cathode of polymer electrolyte fuel cells (PEMFC) is studied experimentally and data on corresponding water saturation and capillary pressure are provided for gas diffusion layers (GDL) with and without a microporous layer (MPL). The data demonstrate that the GDL saturation at water breakthrough is drastically reduced from ca. 25% to ca. 5% in the presence of MPL. This observation is consistent with considerations of invasion percolation in finite-size lattices and suggests an explanation for the role of MPL in improving PEMFC performance at high current densities.     

Hyperfine field and electric quadrupole interaction of51V in YFe2 and HoFe2

Spin echo measurements were made on Y(Fe_0.99V_0.01)₂, (Y_0.97Ho_0.03) (Fe_0.99V_0.01)₂ and Ho(Fe_0.96 V_0.04)₂ compounds. The addition of Ho to YFe₂ causes a spin reorientation from <111> to <100> but this is not reflected in the⁸⁹Y or⁵¹V hyperfine fields. A well resolved⁵¹V NMR line was observed at 51.5 MHz and 60.0 MHz respectively for Y and Ho Laves compounds but with no evidence of quadrupole satellites. Small quadrupole splittings ¦2P_t¦ = 171 ±5 kHz and 178 ±5 kHz respectively for Y and Ho compounds were deduced from the oscillatory decay of the⁵¹V spin echo after a two pulse sequence.On leave from Department of Physics, University College, The University of New South Wales, Australian Defence Force Academy, Campbell, ACT, Australia.     

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Implications of the solvent effect in quantitative capillary gas chromatography of minor constituents in mixtures—a study using deuterium labeled and unlabeled benzofluoranthenes

Perdeuterated benzofluoranthenes have slightly shorter retention times than their equivalent unlabeled forms in a DB-5 capillary column. Under column overload conditions, perdeuterated benzofluoranthenes in moderate multifold excesses, which might be encountered in their use as internal standards and carriers for quantitative analysis, are seen to exhibit both normal and reverse solvent effects on their close eluting congeners. In some cases the effects may be used to advantage by knowledgeable analysts, but for the ignorant and unwary the effects can lead to serious errors in identification and quantification.