Bond dissociation energies and bond orders for some astrophysical molecules

Abstract

The bond dissociation energies for astrophysically important diatomic molecules have been estimated based on the derived relation D_AB = D_AB + 32.058 Δ_χ where D_AB = (D_AA D_BB)1/2, Δ_χ represents Pauling electronegativity difference χ_A – χ_B) Based on the formula suggested by Reddyet al., bond orders are estimated. The ambiguity arising from Parr & Borkman relation is discussed. The present study supports the view of Politzer thatq/(0.5r _e)² is the correct definition of bond order. The estimated bond energies are in reasonably good agreement with the values in the literature. The bond energies estimated with the relation we suggested, for the molecules in the present study, give an error of 8.0 per cent. The corresponding error associated with Pauling’s equation is 26.8 per cent.