Reaction of C_2(a^3Pi_u) with methanol: Temperature dependence and deuterium isotope effect

TL;DR

This study investigates how the reaction rate of C_2(a^3Pi_u) with methanol varies with temperature and isotopic substitution, revealing a hydrogen abstraction mechanism from the methyl group.

Contribution

It provides the first temperature-dependent kinetic data and isotope effect analysis for this reaction, clarifying its mechanistic pathway.

Findings

Reaction rate increases with temperature.

Deuterium substitution affects reaction rate.

Mechanism involves hydrogen abstraction from methyl group.

Abstract

We present a first temperature dependence and kinetic isotope effect study on the reaction of C_2(a^3Pi_u) with methanol. The bimolecular rate constants for a series of methanol isotopomers have been measured as a function of temperature between 293 and 673 K. The observed positive temperature dependences as well as deuterium kinetic isotope effects permit determination of the reaction mechanism as a site-specific hydrogen abstraction from the methyl site rather than from the hydroxyl site.