Infrared spectrum of D2O vibrationally decoupled in H2O ice Ic

The study of D₂O isolated in amorphous H₂O (ice Iv) has been extended to the determination of the bending mode frequency (1230 cm^?1) and to the measurement of the vibrational spectrum of the cubic ice phase (ice Ic). The vibrationally decoupled stretching frequencies (ν₁ = 2367 cm^?1 and ν₃ = 2444 cm^?1) for D₂O in the H₂O (Ic) have been obtained and an estimate of the exchange activation energy is given.     

Magnetic properties of smooth terminating dipole bands in Te

Three strongly coupled sequences have been established in ^110,112Te up to high spins. They are interpreted in terms of deformed structures built on proton 1-particle–1-hole excitations that reach termination at I∼40?$I\sim 40?$. This is the first observation of smooth terminating dipole structures in this mass region. Lifetime measurements have allowed the extraction of experimental B(M1;I→I−1)$B(\mathrm{M}1;I\to I-1)$ and B(E2;I→I−2)$B(\mathrm{E}2;I\to I-2)$ reduced transition rates for one of the dipole bands in ¹¹⁰Te. The results support the deformed interpretation.     

HCl solvation at the surface and within methanol clusters/nanoparticles II: Evidence for molecular wires

Condensed-phase solvation of HCl on and within methanol nanoparticles was investigated by Fourier transform infrared (FTIR) spectroscopy, on-the-fly molecular dynamics as implemented in the density functional code Quickstep (which is part of the CP2K package), and ab initio calculations. Adsorption and solvation stages are identified and assigned with the help of calculated infrared spectra obtained from the simulations. The results have been further checked with MP2-level ab initio calculations. The range of acid solvation states extends from the single-coordinated slightly stretched HCl to proton-sharing with Zundel-like methanol O...H+...X- states, and finally to MeOH2+...Cl- units with full proton transfer. Furthermore, once the proton moves to methanol, it is mobilized along methanol molecular chains. Since the proton dynamics reflects the evolving local structures, the "proton" spectra display broad bands usually with underlying continua.     

High-spin shell-model states near 56Ni

High-spin states of nuclei near doubly magic ⁵⁶Ni were studied with the reaction ²⁸Si(³⁶Ar,xpynzα) at 136 MeV beam energy. The Gammasphere array in conjunction with the 4π charged-particle detector array Microball and neutron detectors were used to detect γ rays in coincidence with evaporated light particles. The resulting extensive decay schemes of ⁵⁴Fe, ^54,55Co, ^56,57Ni, and ⁵⁸Cu are compared to shell model calculations in the fp shell. Received: 19 September 1998 / Revised version: 27 November 1998