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Although it is some five years since fullerenes were extracted in macroscopic quantities from the black, superficially amorphous sooty deposits produced by a carbon arc under helium, little is known in detail about the structure of the deposit or its electrical and magnetic properties. Here we provide evidence that this deposit, known as fullerene soot, is composed of defective networks of carbon atoms which do not have all valencies satisfied. We have studied these soots, before and after thermal annealing, using x-ray and electron diffraction, electron spin-resonance (ESR) spectroscopy, infra-red transmission and measurements of electrical conductivity. We find that localized states associated with such dangling bonds are removed from the soot on annealing and this process is accompanied by an ordering transition which modifies the electrical and magnetic properties. The fullerene soot particles appear to be encapsulated aggregates of highly defective carbon `onions'. Such metastable defective networks undergo a subtle ordering processes upon heat treatment which is accompanied by a rise in the electrical conductivity and a loss of paramagnetism due to the elimination of unsatisfied carbon atom valencies. Electrical conductivity and infra-red transmission measurements indicate that the centre of these `onions' is graphitic, with metallic properties. The temperature dependence of the electrical conductivity suggests that charge transport in both annealed and unannealed materials occurs by tunnelling between metallic islands in the sample. The ESR linewidth, arising from the spin centres in fullerene soots, is not significantly changed by exposure to oxygen. This suggests that the free radical centres in fullerene soots are extremely efficiently isolated from the atmosphere - presumably by encapsulation. This behaviour contrasts with that of amorphous carbons prepared by thermal decomposition of organic materials (chars). The ESR g-factors of the fullerene soots are lower than those of chars, which suggests that the radicals in fullerene soots have strong sigma character due to unsatisfied -type valencies. In this paper, a plausible structure and associated annealing mechanism for the fullerene soot is presented based on these experimental observations. .

Molecular dynamics are performed on systems of two-dimensional periodicity composed of 64 ionic dioctadecyldimethylammonium chloride amphiphiles arranged in a monolayer at 298 K with surface coverages ranging from 57 A2 per amphiphile to 150 A2 per amphiphile. Bond lengths are constrained whereas valence and torsional angles interactions are described by conventional expressions. Nonbonded interactions are introduced through an anisotropic united atom method due to Toxvaerd. The amphiphiles adhere to the surface through electrostatic and nonbonded interactions between the amphiphiles and an underlying substrate. Results are presented for the density normal to the monolayer plane, order parameters, and conformational transition rates. The structure of the two-dimensional layer at the lowest headgroup area studied is quite disordered. Small islands of empty surface surrounded by amphiphiles are formed. As the headgroup area increases, we observed further translational disordering and an increase in the number of amphiphiles aligned with the surface. The g+g+tg+g+ defect observed in one of the chains is stable on a timescale of 250 ps. The equilibrium structures of the two chains are quite different but the conformational dynamics as observed by the transition rates are almost indistinguishable.

High resolution 1H NMR spectroscopy has been employed to investigate the detection and quantification of the illicit "date-rape" drug gamma-hydroxybutyrate (GHB) in both human saliva and a commonly-consumed low-alcohol beer product. Data acquired revealed that this multicomponent analytical technique provided unequivocal evidence for the detection of this agent by this technique in both of these matrices, i.e., all three of its resonances [those ascribable to the alpha-CH2 (t, delta=2.25 ppm), beta-CH2 (tt, delta=1.81 ppm) and gamma-CH2 (t, delta=3.61 ppm) group protons] were present in spectra acquired on human saliva, and two of these (the alpha- and beta-CH2 group signals) in the beverage product examined, the latter observation attributable to overlap of the gamma-CH2 1H resonance with those of carbohydrates. Since good linear calibration relationships between the intensities of each of the NMR-visible signals and added GHB concentration (the former normalised to that of an external 3-trimethylsilyl [2,2,3,3-2H4]- propionate standard present in a coaxial NMR tube insert) were observed, this illicit drug is also readily quantifiable in such multicomponent samples. Our data demonstrate the advantages offered by this technique when applied to the analysis of illicit drugs in multicomponent sample matrices such as human biofluids and beverage products.

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