Influence of entrance channels on the formation of superheavy nuclei in massive fusion reactions

Within the framework of the dinuclear system (DNS) model, the production cross sections of superheavy nuclei Hs (Z=108) and Z=112 combined with different reaction systems are analyzed systematically. It is found that the mass asymmetries and the reaction Q values of the projectile target combinations play a very important role on the formation cross sections of the evaporation residues. Both methods to obtain the fusion probability by nucleon transfer by solving a set of microscopically derived master equations along the mass asymmetry degree of freedom (ID) and distinguishing protons and neutrons of fragments (2D) are compared with each other and also with the available experimental data. (C) 2010 Elsevier B.V. All rights reserved.

Dissociative recombination of the acetaldehyde cation, CH3CHO+

The dissociative recombination of the acetaldehyde cation, CH3CHO+, has been investigated at the heavy ion storage ring CRYRING at the Manne Siegbahn Laboratory in Stockholm, Sweden. The dependence of the absolute cross section of the reaction on the relative kinetic energy has been determined and a thermal rate coefficient of k(T) = (1.5 +/- 0.2) x 10(-6) (T/300)(-0.70 +/- 0.02) cm(3) s(-1) has been deduced, which is valid for electron temperatures between similar to 10 and 1000 K. The branching fractions of the reaction were studied at similar to 0 eV relative kinetic energy and we found that breaking one of the bonds between two of the heavy atoms occurs in 72 +/- 2% of the reactions. In the remaining events the three heavy atoms stay in the same product fragment. While the branching fractions are fairly similar to the results from an earlier investigation into the dissociative recombination of the fully deuterated acetaldehyde cation, CD3CDO+, the thermal rate coefficient is somewhat larger for CH3CHO+. Astrochemical implications of the results are discussed.

Rotamers of m-aminophenol cation studied by mass analyzed threshold ionization spectroscopy and theoretical calculations

The vibrationally resolved spectra of selected rotamers of m-aminophenol have been recorded by mass analyzed threshold ionization spectroscopy in connection with two-color resonant two-photon excitation scheme. The adiabatic ionization energies of the cis and trans rotamers are 61460 +/- 5 and 61734 +/- 5 cm(-1), respectively. The frequencies of modes 1 (breathing) and 18a (in-plane CH bending) are measured to be 744 and 1097 cm(-1) for the cis, and 736 and 1104 cm(-1) for the trans rotamer, respectively. This indicates that different orientation of the OH with respect to the NH2 substituent only slightly influences these two modes. (C) 2004 Elsevier B.V. All rights reserved.

Photo-induced reactions in the ion-molecule complex Mg+-OCNC2H5

Ion - molecule complexes of magnesium cation with ethyl isocyanate were produced in a laser- ablation supersonic expansion nozzle source. Photo- induced reactions in the 1: 1 complexes have been studied in the spectral range of 230 - 410 nm. Photodissociation mass spectrometry revealed the persistent product Mg+ from nonreactive quenching throughout the entire wavelength range. As for the reactive channels, the photoproducts, Mg+OCN and C2H5+, were produced only in the blue absorption band of the complex with low yields. The action spectrum of Mg+(OCNC2H5) consists of two pronounced peaks on the red and blue sides of the Mg+ 3(2)P <-- 3(2)S atomic transition. The ground state geometry of Mg+ - OCNC2H5 was fully optimized at B3LYP/6- 31 - G** level by using GAUSSIAN 98 package. The calculated absorption spectrum of the complex using the optimized structure of its ground state agrees well with the observed action spectrum. Photofragment branching fractions of the products are almost independent of the photolysis photon energy for the 3P(x,y,z) excitations. The very low branching ratio of reactive products to nonreactive fragment suggests that evaporation is the main relaxation pathway in the photo- induced reactions of Mg+ (OCNC2H5). (C) 2003 American Institute of Physics.

On configuration of exchanged La3+ on ZSM-5: A theoretical approach to the improvement in hydrothermal stability of La-modified ZSM-5 zeolite

Density functional calculations have been employed to investigate the locating and binding of lanthanum cation, i.e., La(OH)(2)(+), on HZSM-5 zeolite. Through geometry optimization, it was determined that lanthanum ions are favorably accommodated in the two 6-T rings of the straight channels (Clusters 1 and 2, see Sec. III A for details). Cluster 1 was found to exist in prior to Cluster 2 due to the preference of Al substitution in the T11 site (Cluster 1) rather than in the T8 site (Cluster 2). Geometry-optimization of Cluster 1 containing another two lanthanide ions Nd3+ and Yb3+ was also carried out and it was found that a monotonic decrease in Ln-O bond length will take place as the atomic number increases, conforming well to the rule of lanthanide contraction. Some of the optimized parameters are comparable to the corresponding experimental values in Y zeolite, which confirms that the optimized configurations are acceptable. The average frequencies of hydroxyls attached to La3+ or Yb3+ in Cluster 1 fall at 3609.16 and 3579.76 cm(-1), respectively, with the gap of these two frequencies close to that in the sodalite cage of Y zeolite. Compared to H-form zeolite, the charges on both Al and O atoms in Ln-ZSM-5 zeolite show an obvious increase, which will undoubtedly lead to a stronger mutual interaction and hence enhance the stability of the [AlO4](-) anion. Moreover, the Ln(OH)(2)(+) seem to have thickened the zeolite framework, which can effectively retard the process of dealumination. Through the evaluation of the possibility for dimer formation, it turned out that when the exchange degree arrived to approximately 0.28, lanthanum monomers began to aggregate into dimers, and were completely converted into dimers when the exchange degree approached 0.60. (C) 2003 American Institute of Physics.

Pressurized capillary electrochromatography separation of peptides with strong cation exchange and hydrophilic interaction

A pressurized capillary electrochromatography (pCEC) instrument with solvent gradient capability has been used for the separation of a peptide mixture. Retention mechanism and selectivity of the peptides were studied by pCEC using a strong cation exchange (SCX) column. The effects of applied voltage, supplementary pressure, organic modifier concentration, ionic strength,, and pH value on pCEC separation were investigated. It was found that the retention mechanism of the peptides in this system is based on a mixed mode of hydrophilic interaction, strong cation exchange, and electrophoresis. Compared with the separation results obtained by reverse phase pCEC and capillary electrophoresis (CE), this mixed-mode pCEC is more powerful for the separation of hydrophilic peptides with similar charge-to-mass ratio.