The radicals and anions derived from the 9H tautomer of adenine by adding a hydrogen atom to one of the four double bonds of the adenine framework have been studied. Computations were carried out using a carefully calibrated density functional (B3LYP) method and basis set (DZP++). Optimized geometries, energies, and vibrational frequencies are predicted for eight radicals and anions. The radicals are found to lie in a range of 22 kcal mol(-1), with the radical derived by addition to the C(8) carbon atom being the lowest lying energetically. The anions are predicted to be bound species in the gas phase with an energetic range of 43 kcal mol(-1). Anions produced by addition of a hydride ion to adenine carbon atoms are found to be the most favorable. Six of the anions are predicted to be stable species with respect to electron detachment. The adiabatic electron affinities, vertical electron affinities, and vertical detachment energies are computed for the first time. Electron affinities for these radicals range from 0.0 to 2.0 eV. Radicals produced by addition to a nitrogen atom have near-zero adiabatic electron affinities, while radicals produced by addition at carbon atoms have considerably higher electron affinities.
We present new X-ray observations obtained with Chandra ACIS-S of the HD
189733 system, consisting of a K-type star orbited by a transiting Hot Jupiter
And an M-type stellar companion. We report a detection of the planetary transit
In soft X-rays with a significantly larger transit depth than observ...
We investigate the evolution of stray electric fields in a linear Paul trap
Over a period of several months. We demonstrate a way to clearly distinguish
Between the two main sources of these fields, namely insulated charged up
Patches and patch charges originating from contact potentials. To achieve...
We study the origin of "frozen" states in coupled Jaynes-Cummings-Hubbard
Arrays in the presence of losses. For the case of half the array initially
Populated with photons while the other half is left empty we show the emergence
Of self-localized photon or "frozen" states for specific values of the...
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