Reactions of the 1D State of Oxygen and Carbon

  • P. A. Whitlock
  • J. T. Muckerman
  • P. M. Kroger


Reactions of atomic oxygen and carbon in the excited 1D state with simple (i.e., single-bonded) diatomic molecules are considerably more varied than those involving hydrogen (2S) and halogen (2P) atoms. The chemistry of these systems is too complex to be understood in terms of the usual A + BC LEPS-type model potentials. A quasiclassical trajectory investigation of the dynamics of these reactions therefore requires the use of a more sophisticated representation of the interaction potential. One interesting aspect of the various reactions involving 1D atoms is the method of attack of the oxygen or carbon atom on the diatomic molecule. The atom can approach the diatomic so as to “insert” into the original bond and form a collision complex which subsequently decomposes. The driving force for such reactions arises from the deep potential well associated with the lowest singlet state of the three atom system, e.g., H2O(X 1A′) and \(CH_{2}(\tilde{a}^{1}A{}')\). In another mode of attack, the incident atom may “abstract” an atom from the diatomic molecule in a direct reaction without entering the potential well. Trajectory studies can provide detailed information about the reaction pathways. When a collision complex does form, the behavior of the complex can be monitored to give information on the lifetimes of the complexes and the degree of randomization of the internal energy before the complex decomposes.


Collision Energy Potential Energy Surface Differential Cross Section Excitation Function Diatomic Molecule 
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Copyright information

© Springer Science+Business Media New York 1981

Authors and Affiliations

  • P. A. Whitlock
    • 1
  • J. T. Muckerman
    • 2
  • P. M. Kroger
    • 2
  1. 1.Courant Institute of Mathematical SciencesNew York UniversityNew YorkUSA
  2. 2.Chemistry DepartmentBrookhaven National LaboratoryUptonUSA

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