High temperature rate constants for OH+ alkanes

The present results have been combined with prior lower-T measurements to generate three-parameter rate expressions that adequately represent the available direct measurements (within 25%) over a wide temperature regime (250-1250 K). High-level ab-initio electronic structure theory computations of the molecular properties of reactants, products and transition states have been used to estimate theoretical rate constants with conventional transition state theory (CTST). The theoretical rate constants are excellent representations of the available experimental data (deviations less than 25%) and thereby offer a reliable method for extrapolation to higher-T as well as for extracting branching ratios for primary, secondary and tertiary abstractions.