Microscopic and macroscopic aspects of 135 MeV proton scattering from 16O

Differential cross sections have been measured for the scattering of 135 MeV protons from ¹⁶O and data from the transitions to 13 states (up to 19.5 MeV excitation) have been analysed using microscopic and macroscopic nuclear reaction models. Extensive collective model calculations have been made of the transitions to all natural-parity states. The deformation parameters for the 4p4h rotational band are in good agreement with theoretical models. The inelastic scattering data from the excitation of the negative-parity states have also been analysed in the distorted-wave approximation using microscopic (shell and RPA) models of nuclear structure and with density-dependent two-nucleon t-matrices. For positive-parity states, we report the first shell-model calculation using the complete 2?ω basis space and find that the triplet of 2p2h states (4⁺, 2⁺, 0⁺) around 11 MeV excitation is quite well described by this model, as may be a 1⁺ state which is observed for the first time by proton scattering from ¹⁶O.     

Co chemisorption on PtCu surfaces III. CO on PtCu(111)

Selected thermal desorption and valence band photoemission data on the chemisorption of CO on PtCu(111) surfaces are presented. The main objective is to make a comparison with CO chemisorption on an annealed (1 × 3) reconstructed Pt_0.98Cu_0.02(110) surface. The (111) alloy surfaces are unreconstructed (1 × 1) surfaces, with average near-surface Cu concentrations ranging from ? 7.5% to ? 20% as indicated by the Cu 920 eV Auger signal. It is observed that the effect of alloying Pt(111) with Cu is to progressively lower the desorption peak temperature and hence the free energy of CO desorption from Pt sites. A second observation is that the energy distribution of the Cu 3d-derived states is little affected by CO adsorption on Cu sites at 155 K. Both these results offer a contrast to the results for CO/Pt_0.98Cu_0.02(110) reported earlier.     

Non-local contribution to pair polarizabilities

Through non-local polarizability, molecules respond to electric fields at other molecules. An electrostatic model augmented by such non-local response can represent pair polarizabilities exactly. Calculated pair polarizabilities for helium are analysed to obtain the non-local polarizability, which depends on separation in a simple, easily rationalized, way.     

Photoemission study of the adsorption of O2, CO and H2 on GaAs(110)

Ultraviolet photoemission spectroscopy with hv < 12 eV has been used to study O₂, CO, and H₂ adsorption on the cleaved GaAs(110) face. It was found that O₂ exposures above 10⁵ L(1LM = 10^?6 Torr sec) were required to produce changes in the energy distribution curves. At O₂ exposures of 10⁶ L on p-type and 10⁸ L on n-type an oxide peak is observed in the EDC's located 4 eV below the valence band maximum. On p-type GaAs, O₂ exposures cause the Fermi level at the surface to move up to a point 0.5 eV above the valence band maximum, while on n-type GaAs O₂ exposures do not remove the Fermi level pinning caused by empty surface states on the clean GaAs. CO was found to stick to GaAs, but to desorb over a period of hours, and not to change the surface Fermi level position. H₂ did not affect the EDC's, but atomic H lowered the electron affinity and raised the surface position of the Fermi level on p-type GaAs. A correlation is found in which gases which stick to the GaAs cause an upward movement of the Fermi level at the surface on p-type GaAs, while gases which stick only temporarily do not change the surface position of the Fermi level.     

Quartet structure and collective effects in the scandium isotopes

The systematics of the excitation energies of the non-normal parity states of the scandium isotopes are interpreted in terms of the formation of a quartet of 1f7/2 nucleons. Calculation of theB(E2) value for a typical radiative transition between non-normal parity states in⁴³Sc, using this model, shows that the transition must involve more than the single quartet formed in the 1f7/2 shell; that is, that core polarization is an important factor in determining theB(E2) value.     

Environmental and ecological studies using proton activation analysis

Multielement analyses of environmental samples have been carried out using proton activation analysis. It has been shown that this technique is suitable for both the analysis of aerosol particulates collected on polystyrene filters and for the analysis of the roots of Eucalyptus trees. Aerosol particulates from around the eastern coast of Australia were found to contain S, Ca, Ti, Cr, Fe, Ni, Cu, Zn, Ga, Se, Sr, Y, Zr, Ru, Pt and Hg ranging in concentration from <0.003 to over 3.0 μg per cubic metre of air. A comparison between the ashed roots of healthy and diseased Eucalyptus trees from the Brisbane Ranges in Victoria showed that the concentrations of Fe and Ti in the diseased tree were only 30% and 59% respectively of that in the healthy tree.     

The adsorption of CO,O2, and H2 on Pt: II. Ultraviolet photoelectron spectroscopy studies

Ultraviolet photoelectron spectroscopy (UPS) has been used to study the chemisorption of CO, O₂, and H₂ on platinum. Three single crystal surfaces ((111), 6(111) × (100), and 6(111) × (111)) and two polycrystalline surfaces were studied. These studies yielded three important results. First, the most dominant change in the Pt valence band upon gas adsorption was a decrease in the height of the peak immediately below the Fermi level. This decrease was nearly identical for all three gases studied. Second, CO adsorption resulted in the formation of a resonance state ～8 eV below the Fermi level which was attributed to CO molecular orbitals. In contrast, no dominant resonance states were observed for adsorbed O or H. The lack of an O resonance state on platinum is in contrast to the results observed for O adsorbed on Fe and Ni and suggests important differences between the OPt chemisorption bond and the OFe and ONi chemisorption bonds. Finally, adsorption of CO at steps or defects led to a decrease in work function while its adsorption on terraces led to an increase in work function. For H, adsorption at steps led to an increase in work function while adsorption on terraces led to a decrease in work function. The adsorption of O led to an increase in work function on all of the surfaces studied.     

Photochemical Methods for Peptide Macrocyclisation

Photochemical reactions have been the subject of renewed interest over the last two decades, leading to the development of many new, diverse and powerful chemical transformations. More recently, these developments have been expanded to enable the photochemical macrocyclisation of peptides and small proteins. These constructs benefit from increased stability, structural rigidity and biological potency over their linear counterparts, providing opportunities for improved therapeutic agents. In this review, an overview of both the established and emerging methods for photochemical peptide macrocyclisation is presented, highlighting both the limitations and opportunities for further innovation in the field.     

Probing anion-pi interactions in 1-D Co(II), Ni(II), and Cd(II) coordination polymers containing flexible pyrazine ligands

Two flexible thioether-containing heterocyclic ligands bis(2-pyrazylmethyl)sulfide (L1) and 2-benzylsulfanylmethylpyrazine (L2) have arene rings with differing pi-acidities which were used to probe anion-pi binding in five 1-D coordination polymers formed from the metal salts Co(ClO4)2, Ni(NO3)2, and Cd(NO3)2. In {[Co(L1)(MeCN)2](ClO4)2}infinity (1), {[Ni(L1)(NO3)2]}infinity (2), and {[Cd2(L1)(MeCN)(H2O)(NO3)4].H2O}infinity (3.H2O), the symmetrical ligand L1 was bound facially to the metal center and was bridged through a pyrazine donor to an adjacent metal forming a polymer chain. The folding of L1 formed U-shaped pi-pockets in 1 and 3.H2O which encapsulated free and bound anions, respectively. The anions interacted with the pi-acidic centers in a variety of different binding modes including anion-pi-anion and pi-anion-pi sandwiching. A wider pi-pocket was formed in 2 which also contained anion-pi interactions. The polymer chains in 2 were interdigitated through a rare type of complementary T-shaped N(pyrazine)...pi interaction. In {[Co(L2)(H2O)3](ClO4)2.H2O}infinity (4.H2O) and {[Cd(L2)(H2O)(NO3)2]}infinity (5), the unsymmetrical ligand L2 chelated the metal center and bridged through a pyrazine donor to an adjacent metal forming a polymer chain. The ligand arrangement resulted in the anions in both structures being involved in only anion-pi-anion sandwich interactions. In 4.H2O, the noncoordinated ClO4- anions interacted with only one chain while in 5 the coordinated NO3- anions acted as anion-pi supramolecular synthons between chains. Comparison between the polymers formed with ligands L1 and L2 showed that only the more pi-acidic ring was involved in the anion-pi interactions.     

Calculation of Electronic Structure of Zinc-Blende CdS

The linear-muffin-tin orbital method is used to study the electronic-energy-band structure of zinc-blende CdS. Incorporating the 4d states of Cd into the valence band gives substantially the main-valenceband width, and yields valenceband features in agreement with the experiment. The calculated equilibrium lattice constant is in accord with the measured result. The fundamental band gap is found to be direct at T point and the value is about 1.21 eV. The band structure calculation shows that the present results are in good agreement with experiments and other calculations.