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Thermochemistry of azide salts and the azide ion using direct minimisation equations to obtain the lattice energy of the univalent azide salts
Authors:Harry Donald Brooke Jenkins  Kenneth Frank Pratt
Institution:School of Molecular Sciences, University of Warwick, Coventry CV4 7AL, Warwickshire, England
Abstract:The opportunity to test a new equation for the computation of the lattice energy and at the same time examine a disparity in the literature data for the enthalpy of formation of the azide ion, ΔHθ?(N3?) (g) was the motivation for this study. The results confirm our earlier calculation and show the new equation to be reliable. Thermodynamic data produced in the study take values: ΔHθ?(N3?)(g) = 144kJ mor?1ΔHθhyd(N3?) = ?315 KJ mol?1 or ΔHθhyd(N3?) = ?295 KJ mol?1UPOT(NaN3) = 732 kJ mol?1UPOT(KN3) = 659 kJ mol?1UPOT(RbN3) = 637 kJ mol?1UPOT(CsN3) = 612 kJ mol?1UPOT(TIN3) = 689 kJ mol?1. The lattice energies of azides whose enthalpies of formation are documented have been calculated as well as the enthalpy of formation of the azide radical.
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