The proton affinities and proton transfer in imine, amidine and guanidine series

Peeters, Daniel;Leroy, Georges;Wilante, Claude
(1997) Journal of Molecular Structure — Vol. 416, n° 1-3, p. 21-32 (1997)

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Authors
  • Peeters, DanielUCLouvain
    Author
  • Leroy, GeorgesUCLouvain
    Author
  • Wilante, ClaudeUCLouvain
    Author
Abstract
The enthalpies of formation of neutral and protonated alkyl imines, amidine and guanidine are obtained by ab initio theoretical means using an isodesmic reaction technique. The corresponding proton affinities are obtained and discussed in terms of thermochemical stabilization energies. Their relation to the proton transfer process is examined and discussed. To this end, the structure and properties of various molecular complexes obtained between these molecules of interest and formic acid are explored. The sensitivity of this process to the presence of a neighbour water molecule is commented. (C) 1997 Elsevier Science B.V.
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Peeters, D., Leroy, G., & Wilante, C. (1997). The proton affinities and proton transfer in imine, amidine and guanidine series. Journal of Molecular Structure, 416(1-3), 21-32. https://doi.org/10.1016/S0022-2860(97)00047-1 (Original work published 1997)