Abstract
The dissociation energy of N3 has been computed ab initio using coupled cluster techniques and large basis sets. Our best theoretical estimates (accuracy ±2 kcal/mol) are ∑De=234.0, ∑D0=228.4, ΔH0 f =109.3, and ΔH0 f,298=108.4 kcal/mol. These values are in excellent agreement with an ICR determination of ΔH0 f=112±5 kcal/mol. Very large basis set effects are observed.
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