Eur. Phys. J. D 35, 479-481 (2005)
https://doi.org/10.1140/epjd/e2005-00180-y

Molecular dynamics study of the reaction C₃ + H₃⁺

Institut für Physikalische Chemie, TU Dresden, 01062 Dresden, Germany

Corresponding author: ^a gerd.fischer@chemie.tu-dresden.de

Received: 27 July 2004
Revised: 28 April 2005
Published online: 12 July 2005

Abstract

Both a quantum molecular dynamic method and high level ab initio calculations (MP2, CCSD(T)) have been used to investigate the mechanism of the C₃ + H₃⁺ reaction, which is part of the ion chemistry in interstellar clouds. Furthermore statistic initial orientations in collision simulations have been set up in order to determinate reaction cross-sections and rate coefficients of all occurring reaction channels. Our analysis shows that the revealed mechanism is strongly determined by dynamic effects.