On the Reactivity of Ti+(4F,2F). Reaction of Ti+ with OH2
The Journal of Physical Chemistry A1998Vol. 102(1), pp. 293–300
Citations Over TimeTop 10% of 1998 papers
Abstract
The reaction of Ti+(4F,2F) + OH2 has been studied in detail for both doublet and quartet spin states. The only exothermic products are TiO+(2Δ) and H2; formation of several endothermic products is also examined. An in-depth analysis of the reaction paths leading to each of the observed products is given, including various singlet, triplet, and quartet minima, several important transition states, and a discussion of the two H2 elimination mechanisms proposed in the literature. The experimentally observed spin-forbidden crossing is given a possible explanation. Throughout this work comparison to experimental results in energetics, reaction products, and suggested mechanisms has been central.
Related Papers
- → Assessment and comparison of different catalytic coupling exothermic and endothermic reactions: A review(2012)123 cited
- → Periodic operation of asymmetric bidirectional fixed-bed reactors: energy efficiency(1997)16 cited
- Analysis of a two-stage competitive endothermic-exothermic reaction scheme(2012)
- → Chemical transport reactions in gases and some remarks concerning melts and fluid phases(1981)6 cited