<Superscript>6</Superscript>He + <Superscript>6</Superscript>He Clustering of <Superscript>12</Superscript>Be in a Microscopic Algebraic Approach

The norm kernel of the A=12 system composed of two ⁶He clusters, and the L=0 basis functions (in the SU(3) and angular momentum-coupled schemes) are analytically obtained in the Fock-Bargmann space. The norm kernel has a diagonal form in the former basis, but the asymptotic conditions are naturally defined in the latter one. The system is a good illustration for the method of projection of the norm kernel to the basis functions in the presence of SU(3) degeneracy that was proposed by the authors. The coupled-channel problem is considered in the algebraic version of the resonating-group method, with the multiple decay thresholds being properly accounted for. The structure of the ground state of ¹²Be obtained in the approximation of zero-range nuclear force is compared with the shell-model predictions. In the continuum part of the spectrum, the S-matrix is constructed, the asymptotic normalization coefficients are deduced and their energy dependence is analyzed.     

Hypernuclear production with a strong spin-flip

A kinematically correct treatment of the full transition amplitude for many-body hypernuclear production is presented. By an example of (⁺, K⁺) reaction, effects of the spin-flip amplitude and its interference with the spin-non-flip amplitude are demonstrated and specified for ¹² C.Dedicated to Academician Václav Votruba on the occasion of his eightieth birthday.The discussions with many colleagues are appreciated, in particular those with R. Mach, L. Majling and T. Motoba were of much use.     

Dielectric behavior of polyethyleneoxide (polyox)

Ohne Zusammenfassung     

Cluster model study of lightp-shell Λ-hypernuclei with OBE-based effective ΛN interaction

The structures of the lightp-shell hypernuclei \({}_\Lambda ^6 He,{}_\Lambda ^7 Li,{}_\Lambda ^9 Liand{}_\Lambda ^9 Be\) are studied by using a realistic effectiveΛN interaction (YNG), and compared to those with the use of the simple one-range Gaussian (ORG) interaction. The YNG interaction, which simulates theΛNG-matrix for the Nijmegen OBE modelD, is characterized by the inner repulsive core and the density-dependence along with the space-exchange and spin-spin components. The framework we adopt is the microscopic α +x + Λ (x=n, d, t or α) three-cluster model, where nucleon antisymmetrization is exactly treated. The characteristic behaviors ofΛ?x andΛ?(αx) interactions derived from the YNG are displayed and discussed. In spite of the remarkable characteristic of YNG, the calculated energy levels of the four hypernuclei are very similar to those previous obtained by using the simple ORG interaction. The stabilization and contraction of the hypernuclear system due to the glue-like role ofΛ-particle persists in the present calculation, though the repulsive core of theΛN interaction tends to prevent from too much contraction.     

Pionic decay of hypernuclei

The mass number dependence of the total pionic decay rate of hypernuclei is evaluated under the closure approximation by using DDHF single-particle wave functions and taking into account the pion distortion and absorption. The effect ofNN andN correlations are then incorporated and found to give a drastic enhancement especially in heavy hypernuclei. More detailed features are discussed for partial and total decay rates of typical light hypernuclei.Presented at the symposium Mesons and Light Nuclei, Bechyn, Czechoslovakia, May 27–June 1, 1985.     

Analytical approach to the discoloration of edible laver "nori" in the Ariake Sea.

To understand the cause of discoloration of the sea laver "nori," which is found in the Ariake Sea, the concentrations of pigments and elements in the normal and discolored laver samples were determined. In the discolored samples, a decrease in all of the pigments, chlorophyll a and carotenoids, and proteinous pigments, phycobiliproteins, was clearly observed. This was accompanied by a decrease in the content of Fe, Zn, Mn, Cu, and P. Good correlations between these elements and chlorophyll a, as well as between these elements and phycobiliproteins, were confirmed, indicating that, in addition to the deficiency of nitrogen and phosphorus, the deficiency of trace elements (Fe, Zn, Mn, and Cu), which are specifically required for photosynthesis, could be a reason for the discoloration of nori. The cause of elemental deficiency is also discussed.     

NMR studies of conformations and dynamic processes—II : [26]Bicyclophanes with ethylene bridges

The conformations and dynamic processes in two bicyclophanes have been analysed on the basis of temperature-dependent ¹H NMR spectra. Both bicyclophanes are suggested to have a lowest-energy conformation of D₃ symmetry in which the substituents at all ethylene bridges are gauche⁺ (or gauche^?) oriented. The interconversion of the mirror image conformers of each bicyclophane equilibrates the two hydrogens in each methylene group, the barriers being ca 36 and 37 kJ mol^?1, respectively, as determined by line-shape analysis.     

Revised analysis of the structure of the v1 band of methane

The CARS spectrum of the v₁ band of ₁₂CH₄ at a pressure of 14 mbar was recorded using cw excitation in the cavity of a ring argon ion laser. The analysis of the intensity profile of the obarred spectrum led to the detection of inconsistencies with the hitherto proposed calculated positions of transitions with J = 7 to J = 10 and to a relocation of the corresponding lines.     

Molecular dynamics simulation of liquid N2O4<-->2NO2 by orientation-sensitive pairwise potential. III. Reaction dynamics

The dissociation and association dynamics of N2O4 [see text] 2NO2 in liquid state are studied by classical molecular dynamics simulations of reactive liquid NO2. An OSPP+LJ potential between NO2 molecules, which is a sum of an orientation-sensitive pairwise potential (OSPP) between N-N atoms proposed in Paper I [J. Chem. Phys. 115, 10852 (2001)] and Lennard-Jones potentials between N-O and O-O atoms, has been used in the simulation. The reaction dynamics is studied as a function of well depth De and anisotropy factors of the OSPP potential: Atheta (0< or =Atheta< or =1) for the rocking angle and Atau (0< or =Atau< or =0.5) for the torsional angle of relative NO2-NO2 orientation. The lifetime tauD of initially prepared NO2 dimers is found to increase as De increases, Atheta increases, and Atau decreases. Dissociation and association dynamics are studied in detail around the extreme limit of pure NO2-dimer liquid: De=0.12 x 10(-18) J, Atheta=0.5, and Atau=0.1, which has been found to reproduce both the observed liquid phase equilibrium properties and Raman band shapes of the dissociation mode very well. The dissociation dynamics from microscopic reaction trajectories is compared with the potential of the mean force (PMF) as a function of the N-N distance R. The PMF of reactive liquid NO2 shows a transition state barrier at R=2.3-2.5 A, and NO2-trimer structure is found to be formed at the barrier. Two types of dissociation of the NO2 dimer-the dissociation by collisional activation of the reactive mode to cross the dissociation limit and the NO2-mediated dissociation via bond transfer-are studied. The latter needs less free energy and is found to be much more probable. The dissociation trajectories and PMF in reactive liquid NO2 are compared with those of a reactive NO2 pair in inert solvent N2O4.     

Probing the intrinsic electronic structure of the cubane [4Fe-4S] cluster: nature's favorite cluster for electron transfer and storage

The cubane [4Fe-4S] is the most common multinuclear metal center in nature for electron transfer and storage. Using electrospray, we produced a series of gaseous doubly charged cubane-type complexes, [Fe4S4L4]2- (L = -SC2H5, -SH, -Cl, -Br, -I) and the Se-analogues [Fe4Se4L4]2- (L = -SC2H5, -Cl), and probed their electronic structures with photoelectron spectroscopy and density functional calculations. The photoelectron spectral features are similar among all the seven species investigated, revealing a weak threshold feature due to the minority spins on the Fe centers and confirming the low-spin two-layer model for the [4Fe-4S](2+) core and its "inverted level scheme". The measured adiabatic detachment energies, which are sensitive to the terminal ligand substitution, provide the intrinsic oxidation potentials of the [Fe4S4L4]2- complexes. The calculations revealed a simple correlation between the electron donor property of the terminal thiolate as well as the bridging sulfide with the variation of the intrinsic redox potentials. Our data provide intrinsic electronic structure information of the [4Fe-4S] cluster and the molecular basis for understanding the protein and solvent effects on the redox properties of the [4Fe-4S] active sites.