Dynamics of Formation of Products D2CN+, DCN+, and CD3+ in the Reaction of N+ with CD4: A Crossed-Beam and Theoretical Study

0341545 - ÚFCH JH 2011 RIV US eng J - Journal Article
Žabka, Ján - Roithová, Jana - Španěl, Patrik - Herman, Zdeněk
Dynamics of Formation of Products D2CN+, DCN+, and CD3+ in the Reaction of N+ with CD4: A Crossed-Beam and Theoretical Study.
Journal of Physical Chemistry A. Roč. 114, č. 3 (2010), s. 1384-1391. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR IAA400400702
Institutional research plan: CEZ:AV0Z40400503
Keywords : ion-molecule reaction * scattering * density
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.732, year: 2010

The formation of D2CN+ in the reaction of N+ (P-3) with CD4 was studied using the crossed beam technique at collision energies of 3.66 and 4.86 eV. The experiments were complemented by calculations of stationary points on the triplet hypersurface of the system. The scattering data showed that the reaction proceeds by the formation of two intermediate complexes having different lifetimes: it long-lived statistical intermediate and short-lived complex (mean lifetime about one period of an average rotation) with more energy in translation than the statistical complex. Comparison with theoretical Calculations suggests that the long-lived complex leads the CDND+ isomer of the product ion, whereas the short-lived complex leads prevailingly to the CD2N+ isomer. The product DCN+ results from further decomposition of the primary product D2CN+, whereas CD3+ is formed both by a hydride-ion transfer and it long-lived complex decomposition.
Permanent Link: http://hdl.handle.net/11104/0005822