Stability and structure of dinuclear hydride ions B2H3± and Al2H3± on data of non-empirical calculations with regard to electron correlation

Geometrical parameters of B2H3± and Al2H3± ion alternative configurations have been optimized on SCF level and in a number of cases regarding electron correlation in two-exponential bases with polarization. Stability of considered ions to monomolecular decay and electron splitting is shown, possibility of their existence separately or in inert matrices is predicted. It is found that presence of structures close in energy, where B and Al atoms are linked by direct bonds or by means of H bridge atoms, is characteristic of the systems under consideration. It is found that B2H3± and Al2H3± ions have different geometrical and electron structure of the main isomers and different relative position of other structures on the energy scale. Causes of these differences are discussed. The results are compared with the previous calculation data for C2H3+ and Si2H3+