| Abstract
| - The low-lying electronic states of Al3As, AlAs3, and the corresponding anions have been studied at the B3LYPand CCSD(T) levels using the 6-311+G(2df) one-particle basis set. The ground electronic states of Al3As-and Al3As have a cyclic planar C2v geometry. A 1A1-(C3v) state is located 0.2 eV above the 1A1-(C2v) groundstate of Al3As. For AlAs3, a near degeneracy is found between the 1A1 (C2v) and the 1A‘ (Cs) lowest stateswhile the anion, AlAs-, has a 2A‘ (Cs) ground state. The adiabatic electron affinities of Al3As and AlAs3 arecalculated to be 1.8 and 1.9 eV, respectively. Electron detachment energies computed for the anions and theharmonic vibrational frequencies of both the anions and the neutral molecules are presented and discussed.It is anticipated that the computed data will aid future analysis and the interpretation of experimentalphotoelectron photodetachment spectra of these systems.
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