Carelli F, Gianturco F A, Wester R, Satta M
Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstraße 25, A-6020 Innsbruck, Austria.
Scuola Normale Superiore, P.zza dé Cavalieri 7, Pisa I-56125, Italy.
J Chem Phys. 2014 Aug 7;141(5):054302. doi: 10.1063/1.4891300.
The possibility of attaching near-threshold electrons to N-terminated carbon chains, like those observed in the outer envelopes of carbon-rich stars, is examined via accurate quantum chemistry orbital structures evaluation and quantum scattering analysis of the corresponding extra-electron wavefunctions at meV energies. It is shown that the differences in the signs and sizes of the permanent dipole moments which exist for both the neutral and anionic species of the C(n)N series of molecules play a significant role in suggesting or excluding possible energy paths to permanent anion formations of cyanopolyynes, for which the cases with n from 1 to 7 are examined in more detail.
