Electron impact inelastic molecular processes for deuterated compounds

Abstract

In this theoretical work, electron induced inelastic molecular processes for deuterated molecules HD, D2, D2O, SiDx (x = 1–3), NDx (x = 1–3) and CDx (x = 2–4) are studied and quantified from ionisation threshold to 5 keV. The total inelastic cross section (Qinel) are computed using Spherical Complex Optical Potential (SCOP) and total ionisation cross sections (Qion) and total electronic excitation cross sections (∑Qexc) have been evaluated through the Complex Spherical Potential – ionisation contribution (CSP-ic) method. Electron driven inelastic effects for deuterated hydrogen (HD) are investigated for the first time in this study. This is the first report of total Qion for HD, SiDx (x = 1–3), NDx (x = 1,2), CDx (x = 2,3) molecules and maiden study of Qinel and ∑Qexc for all these molecules. Further, isotope effect is studied for these targets and using various correlation analyses, dipole polarizability for ND and SiDx (x = 1–3) molecules are predicted.