TIME-RESOLVED FTIR STUDY ON THE REACTION OF CH$_2$Br WITH NO$_2$
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Date
2007
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Publisher
Ohio State University
Abstract
Time-Resolved Fourier Transform Infrared (TR-FTIR) emission spectroscopy has been used extensively to study the dynamics of gas-phase free radical reactions. Radicals of CH$_2$Br are believed to be important reactive intermediates involved in atmospheric pollution chemistry. It is expected that this highly reactive and exothermic reaction of CH$_2$Br with NO$_2$ has multiple reaction channels and interesting chemical transformations. However, except a few kinetics measurements, it has been lack of the knowledge of its reaction products, channels, dynamics and mechanisms up to now. In this work, we have employed step-scan TR-FTIR emission spectroscopy to investigate these aspects of the CH$_2$Br + NO$_2$ reaction. By probing the infrared fluorescence emitted from vibrationally excited molecules in real time, the elementary reaction products and their vibrational state distribution can be identified from TR-FTIR emission spectroscopy, revealing the information of the product channels and reaction dynamics. Here, we have observed multiple elementary reaction products of H$_2$CO, HBr, CO$_2$, CO, NO from the CH$_2$Br + NO$_2$ reaction, identified the corresponding reaction channels and analyzed the product vibrational state distributions. The reaction mechanism and dynamics is elucidated from these experimental results combined with B3LYP/6-311G(d,p) level of DFT calculations on the reaction energetics.
Description
Author Institution: Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China