Abstract
We report calculated total ionization cross sections of diborane molecules (B2H4 and B2H6) from threshold to ∼2 keV by two methods viz., Complex Scattering Potential-ionization contribution (CSP-ic) and Binary Encounter Bethe (BEB) formulations. In the CSP-ic method, total ionization cross sections Qion are extracted from total inelastic cross sections denoted by Qinel. In BEB, the Qion are obtained as the sum of molecular orbital cross sections. The results obtained through both methods are compared and are found to be in good mutual accord (except the atomic-sum estimate on B2H6), but both the theoretical results differ considerably from only available measurement on B2H6. There are no previous data for B2H4. Comparisons with corresponding hydrocarbon molecules are also afforded. Our work suggests fresh measurements on B2H6 and new experiments on B2H4.
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