The nature of bonding in C4H7+ and related species and resonance assisted hydrogen bonding
Leonard Reuter
Institute of Physical Chemistry, RWTH Aachen University, Aix-la-Chapelle, Allemagne.
Mercredi 22 Février 2017, 11h00
bibliothèque LCT, tour 12 - 13, 4ème étage
The bonds in the cyclic molecules C4H7+ and C4H6 have been investigated with Valence Bond methods, QTAIM, and Maximum Probability Domains. Furthermore, the substituted species C4H6OH+ and C4H6SiMe3+ have been examined with regard to the stability of the two possible conformers.
The nature and the strength of resonance assisted hydrogen bonding (RAHB) has been investigated with valence bond methods for enol-malonaldehyde (intramolecular) and the formic acid dimer (intermolecular).