The helion and triton optical potentials

The representation of the interaction between three-nucleon systems and nuclei by an optical potential is discussed, and the results of all existing analyses are tabulated.     

Multistep direct analysis of (p, α) reactions to the continuum

The double differential cross-sections for the (p,α) reaction have been measured for the isotope pairs^90,91Zr at 24.02 MeV and^142,143Nd at 23.1 MeV. The cross-sections are separated into compound nucleus and multistep direct components by the subtraction method and analyzed using the Hauser-Feshbach and Feshbach-Kerman-Koonin theories. The direct interaction is assumed to take place by the alpha-particle knockout process. The extent to which the unpaired neutrons in⁹¹Zr and¹⁴³Nd act as spectators in the reaction is studied and the role of pairing effects assessed.     

Critical radii for alpha-particle elastic scattering

The critical radii obtained from analyses of the elastic scattering of alpha-particles by a range of nuclei are found to be closely connected with the nuclear matter distributions obtained by summing the squares of single-particle wavefunctions. This provides a method of calculating the details of the optical potentials from the structure of the target nucleus.     

Exchange coupling in di-μ-hydroxo-bridged chromium(III) dimers

Summary The magnetic properties of a series of di--hydroxo-bridged chromium(III) complexes of the general formula [CrL_m(H₂O)_n(OH)]₂ ^q± are discussed in terms of the structural features of the molecules using extended Hückel molecular orbital formalism. The singlet-triplet splittings which arise from superexchange coupling correlate with the ratio /r, where is the angle at the bridging oxygen atom and r is the Cr-O(bridge) bond distance. Small deviations from the overall correlation result from other structural variations and electronic effects which are not treated. Data presented for three alkoxo-bridged chromium(III) complexes reflect enhanced exchange coupling as expected from the increased electron density in the orbitals of the bridging oxygens.     

A codeposition route to CuI-pyridine coordination complexes for organic light-emitting diodes

We demonstrate a new approach for utilizing CuI coordination complexes as emissive layers in organic light-emitting diodes that involves in situ codeposition of CuI and 3,5-bis(carbazol-9-yl)pyridine (mCPy). With a simple three-layer device structure, pure green electroluminescence at 530 nm from a Cu(I) complex was observed. A maximum luminance and external quantum efficiency (EQE) of 9700 cd/m(2) and 4.4%, respectively, were achieved. The luminescent species was identified as [CuI(mCPy)(2)](2) on the basis of photophysical studies of model complexes and X-ray absorption spectroscopy.     

Mechanism of carbon-halogen bond reductive cleavage in activated alkyl halide initiators relevant to living radical polymerization: theoretical and experimental study

The mechanism of reductive cleavage of model alkyl halides (methyl 2-bromoisobutyrate, methyl 2-bromopropionate, and 1-bromo-1-chloroethane), used as initiators in living radical polymerization (LRP), has been investigated in acetonitrile using both experimental and computational methods. Both theoretical and experimental investigations have revealed that dissociative electron transfer to these alkyl halides proceeds exclusively via a concerted rather than stepwise manner. The reductive cleavage of all three alkyl halides requires a substantial activation barrier stemming mainly from the breaking C-X bond. The activation step during single electron transfer LRP (SET-LRP) was originally proposed to proceed via formation and decomposition of RX(?-) through an outer sphere electron transfer (OSET) process (Guliashvili, T.; Percec, V. J. Polym. Sci., Part A: Polym. Chem. 2007, 45, 1607). These radical anion intermediates were proposed to decompose via heterolytic rather than homolytic C-X bond dissociation. Here it is presented that injection of one electron into RX produces only a weakly associated charge-induced donor-acceptor type radical anion complex without any significant covalent σ type bond character between carbon-centered radical and associated anion leaving group. Therefore, neither homolytic nor heterolytic bond dissociation applies to the reductive cleavage of C-X in these alkyl halides inasmuch as a true radical anion does not form in the process. In addition, the whole mechanism of SET-LRP has to be revisited since it is based on presumed OSET involving intermediate RX(?-), which is shown here to be nonexistent.     

Revisiting the polyoxometalate-based late-transition-metal-oxo complexes: the "oxo wall" stands

Terminal oxo complexes of the late transition metals Pt, Pd, and Au have been reported by us in Science and Journal of the American Chemical Society. Despite thoroughness in characterizing these complexes (multiple independent structural methods and up to 17 analytical methods in one case), we have continued to study these structures. Initial work on these systems was motivated by structural data from X-ray crystallography and neutron diffraction and (17)O and (31)P NMR signatures which all indicated differences from all previously published compounds. With significant new data, we now revisit these studies. New X-ray crystal structures of previously reported complexes K(14)[P(2)W(19)O(69)(OH(2))] and "K(10)Na(3)[Pd(IV)(O)(OH)WO(OH(2))(PW(9)O(34))(2)]" and a closer examination of these structures are provided. Also presented are the (17)O NMR spectrum of an (17)O-enriched sample of [PW(11)O(39)](7-) and a careful combined (31)P NMR-titration study of the previously reported "K(7)H(2)[Au(O)(OH(2))P(2)W(20)O(70)(OH(2))(2)]." These and considerable other data collectively indicate that previously assigned terminal Pt-oxo and Au-oxo complexes are in fact cocrystals of the all-tungsten structural analogues with noble metal cations, while the Pd-oxo complex is a disordered Pd(II)-substituted polyoxometalate. The neutron diffraction data have been re-analyzed, and new refinements are fully consistent with the all-tungsten formulations of the Pt-oxo and Au-oxo polyoxometalate species.