The impact of comet Shoemaker-Levy 9 on Jupiter

We have performed computational shock-physics simulations of the hypervelocity (60 km/s) impact of 1–3 km, water-ice spheres entering a hydrogen-helium Jovian atmosphere. These conditions simulate the best current estimates for the collision of fragments of periodic comet Shoemaker-Levy 9 with Jupiter in July, 1994. We used the Eulerian shock-physics code CTH, and its parallel version PCTH to perform 2-D analyses of penetration and breakup, and 3-D analyses of the growth of the resulting fireball during the first 100 seconds after fragment entry. We can use our simulations to make specific predictions of the time interval between fragment entry and fireball arrival into line-of-sight from the earth. For a fragment larger than about 1 km, we believe that the time of fireball arrival above Jupiter's limb will be directly observable from earth. Measurements of this time by observers, in conjunction with our simulations, may allow mass of cometary fragments to be determined.This article was processed using Springer-Verlag T_EX Shock Waves macro package 1.0 and the AMS fonts, developed by the American Mathematical Society.     

Aryl-aryl bond formation by the fluoride-free cross-coupling of aryldisiloxanes with aryl bromides

The prevalence of the biaryl structural motif in biologically interesting and synthetically important molecules has inspired considerable interest in the development of methods for aryl-aryl bond formation. Herein we describe a novel strategy for this process involving the fluoride-free, palladium-catalysed cross-coupling of readily accessible aryldisiloxanes and aryl bromides. Using a statistical-based optimisation process, preparatively useful reaction conditions were formulated to allow the cross-coupling of a wide range of different substrates. This methodology represents an attractive, cost-efficient, flexible and robust alternative to the traditional transition-metal-catalysed routes typically used to generate molecules containing the privileged biaryl scaffold.     

Vibrational frequencies and spectroscopic constants from quartic force fields for cis-HOCO: the radical and the anion

The use of accurate quartic force fields together with vibrational configuration interaction recently predicted gas phase fundamental vibrational frequencies of the trans-HOCO radical to within 4 cm(-1) of experimental results for the two highest frequency modes. Utilizing the same approach, we are providing a full list of fundamental vibrational frequencies and spectroscopic constants for the cis-HOCO system in both radical and anionic forms. Our predicted geometrical parameters of the cis-HOCO radical match experiment and previous computation to better than 1% deviation, and previous theoretical work agrees equally well for the anion. Correspondence between vibrational perturbation theory and variational vibrational configuration interaction for prediction of the frequencies of each mode is strong, better than 5 cm(-1), except for the torsional motion, similar to what has been previously identified in the trans-HOCO radical. Among other considerations, our results are immediately applicable to dissociative photodetachment experiments which initially draw on the cis-HOCO anion since it is the most stable conformer of the anion and is used to gain insight into the portion of the OH + CO potential surface where the HOCO radical is believed to form, and we are also providing highly accurate electron binding energies relevant to these experiments.     

Zur Bestimmung und Trennung des Titans

Ohne Zusammenfassung     

Nuclear moments and charge radius changes in platinum isotopes

Isotope shift (IS) and hyperfine structure (HFS) measurements have been performed for^{185, 187, 189, 191, 195}Pt using the PILIS (Post ISOCELE Laser Isobar Separator) apparatus installed at the ISOCELE facility. Magnetic and quadrupole moments have been deduced from the HFS results. The charge radius changes determined for these odd nuclei from the IS results, added to the σ<r²> values of the even-A nuclei are compared to the results of lattice Hartree-Fock+BCS calculations for asymmetric solutions:¹⁸⁵Pt is confirmed to be prolate shaped whereas^{187, 189, 191}Pt are likely triaxial in their ground states.     

Distribution of hydrogen vibrations in LaH2.28 and LaH2.99

The hydrogen vibrational modes in LaH_x samples have been investigated by pulsed neutron spectroscopy. The results are compared with a simple model emphasizing strong HH forces and the lack of stoichiometry in LaH_2.28.     

Deformation change between184mAu and184gAu

Isotope shift and hyperfine structure measurements have been performed on the short lived¹⁸⁴Au nucleus using the COMPLIS apparatus installed at ISOLDE. The charge radius change and the magnetic and quadrupole moments of both isomeric and ground states have been deduced. The¹⁸⁴Au ground state appears to be slightly more deformed than the isomeric state.