Heats of formation of some energetic compounds containing NO/sub 2 / and/or NF/sub 2/ groups

Leroy, Georges;Sana, M.;Wilante, Claude;Peeters, Daniel;Bourasseau, S.
(1989) Journal of Molecular Structure: THEOCHEM — Vol. 56, p. 251-259 (1989)

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Authors
  • Leroy, GeorgesUCLouvain
    Author
  • Sana, M.
    Author
  • Wilante, ClaudeUCLouvain
    Author
  • Peeters, DanielUCLouvain
    Author
  • Bourasseau, S.
    Author
Abstract
The heats of formation of a series of polyatomic molecules containing NO/sub 2/ and/or NF/sub 2/ groups have been determined using the isodesmic procedure of Pople et al. (1970) at the SCF level. An excellent correlation between the semiempirical heats of formation and the corresponding available experimental data is observed. NO/sub 2/ and NF/sub 2/ groups have large and comparable destabilizing effects.
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Leroy, G., Sana, M., Wilante, C., Peeters, D., & Bourasseau, S. (1989). Heats of formation of some energetic compounds containing NO/sub 2 / and/or NF/sub 2/ groups. Journal of Molecular Structure: THEOCHEM, 56, 251-259. https://doi.org/10.1016/0166-1280(89)85165-6 (Original work published 1989)