Summary
We have determined a series of bond energy terms in compounds containing dative, single, double and/or triple boron-nitrogen bonds. We describe various interesting applications based on these bond energy terms namely the determination of enthalpies of atomization and stabilization energies. More particularly, the conventional ring strain energies of three- and four-membered small ring containing boron and nitrogen atoms could be determined and the aromaticity of borazine, reexamined.
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The stabilization energy of BH2=NH2 is actually equal to −0.77 kcal mol−1 due to a certain imprecision in the determination of the bond energy terms. This is the reason whySE (borazine) is not exactly equal to the enthalpy change of the homodesmotic reaction (11.1 kcal mol−1)
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Dedicated to Professor Alberte Pullman
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Leroy, G., Sana, M. & Wilante, C. Evaluation of the bond energy terms for the various types of boron-nitrogen bonds. Theoret. Chim. Acta 85, 155–166 (1993). https://doi.org/10.1007/BF01374585
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DOI: https://doi.org/10.1007/BF01374585