Theoretical description of the ^2A'' and ^2A' states of the peroxyformyl radical
Nicholas W. Winter, William A. Goddard III, Charles F. Bender
1975Chem. Phys. Lett., 33(1), 25-299cited
Abstract
We use simple orbital ideas to describe the lowest two states (^2A'' and ^2A') of the peroxyformyl radical and report ab initio Hartree-Fock calculations in these states. We find that both states may be formed exothermically by association of O_2 and HCO in their ground states; however, the excited state may decompose readily to OH and CO2. The possible role of such processes in oxidation of aldelydes is discussed.
Group Members
Cite this publication
Winter, N. W., III, W. A. G., & Bender, C. F. (1975). Theoretical description of the ^2A'' and ^2A' states of the peroxyformyl radical. *Chem. Phys. Lett.*, *33*(1), 25-29. https://doi.org/10.1016/0009-2614(75)85445-5