Electron affinities of cyano-substituted ethylenes

Electron affinities of ethylene and six cyano-substituted ethylenes (cyanoethylene, 1, 1-dicyanoethylene, cis-1, 2-dicyanoethylene, trans-1, 2-dicyanothylene, tricyanoethylene, and tetracyanoethylene) were determined using six different density functional or hybrid Hartree-Fock/density functional methods. Equilibrium geometries and harmonic vibrational frequencies for each species were determined with each density functional method. Experimental electron affinities exist for three of the six systems studied (cyanoethylene, trans-1, 2-dicyanoethylene, and tetracyanoethylene); for the three systems, the absolute average EA errors for the different methods are 0.10eV (BLYP), 0.19ev (BHLYP), 0.22eV (B3LYP), 0.20eV (BP86), 0.78eV (B3P86), and 0.81eV (LSDA). The electron affinities of gem-dicyanoethylene, cis-discyanoethylene, and tricyanoethylene are not known from experiment but are predicted here to be 1.23eV (gem-dicyanoethylene), 1.32eV (cis-dicyanoethylene), and 2.41eV (tricyanoethylene). Contrary to earlier suggestions, tetracyanoethylene is predicted to be planar, rather than twisted. Density functional theory predicts that the ²B_1u state of the ethylene anion lies lower than the ²B_2g state, which is reported by experimentalists as the (transient) ground state, and lower than the ²A_g state. Coupled-cluster results indicate that the ²A_g state is lower than either the ²B_2g or ²B_1u states. The energetic stabilization of cyano substitution on ethylene results from the π and π? conjugation of multiple cyano groups. The HOMO-LUMO gap in ethylene decreases with increasing cyano substitution, from 7.2eV in C₂H₄ to 3.8eV in C₂(CN)₄, explaining the extreme difference between the electron affinities of ethylene (negative) and tetracyanoethylene (～T3.0eV).     

Low-spin states of doubly odd 184Au

Low-spin states of ¹⁸⁴Au have been studied using the β⁺/EC decay of ¹⁸⁴Hg. γ-ray and conversion-electron singles spectra were recorded with ¹⁸⁴Hg mass-separated sources. For γ-γ-t and X-γ-t coincidence measurements, mercury nuclei were produced in the ¹⁴⁸Sm + ⁴⁰Ar reaction and transported by a He-jet system. The electron spectra were recorded from ¹⁸⁴Hg sources produced at ISOLDE. A level scheme of ¹⁸⁴Au including 48 transitions is proposed. The experimental results are interpreted in the frame of a semi-microscopic axial-rotor-plus-two-quasiparticle model developed in the context of the HF+BCS approximation.     

Nuclear orientation at isolde/cern

A facility for Nuclear Implantation into Cold On-Line Equipment (NICOLE) is being installed at the new on-line isotope separator ISOLDE 3 at CERN. The first on-line run was in the beginning of July 1988. The low temperature equipment has been successfully tested and first off-line experiments on various isotopes have been performed. NMR/ON has been done on vaious isotopes (Co, Xe, Pt, Au) in iron host. First experience with the top-loading dilution refrigertor (Oxford Instruments Limited) shows that it performs very well. The cooling power is 400 μW at 100 mK and 34 μW at 25 mK. The base temperature can be kept continuously well below 5 mK. NMR/ON can be performed at temperatures below 5.5 mK. The base temperature on-line is expected to be lower then 6 mK. The sample can be cooled down from room temperature to 10 mK within two hours, to 6 mK within 3 hours which is not only important for off-line but also for on-line experiments when samples have to be changed to remove long lived daughter activity. The latest results will be reported.