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Photoelectron spectroscopy of the trimethylenemethane negative ion

  • Paul G. WentholdEmail author
  • Jun Hu
  • Robert R. Squires
  • W. Carl Lineberger
Article

Abstract

The photoelectron spectrum of the trimethylenemethane (TMM) negative ion is described. The electron affinity of TMM is found from the spectrum to be 0. 431±0.006 eV, and the energy difference between the \(\tilde X^3 A'_2 \) 3A′2 and \(\tilde b^1 A_1 \) 1A1 states of TMM is determined to be 16.1±0.2 kcal/mol. The energy difference between the lowest energy triplet and singlet states is estimated to be 13–16 kcal/mol. The enthalpy of formation of TMM is measured to be 70±3 kcal/mol, and the C-H bond enthalpy in 2-methylallyl radical is 90±2 kcal/mol. Previously unobserved vibrational frequencies of 425, 915, and 1310 cm−1 are found for the triplet state of TMM, whereas a frequency of 325 cm−1 is found for the singlet state. In addition, an overtone peak is observed for the triplet state at 1455 cm−1, and both states contain peaks that are assigned to bands arising from excited vibrational levels of the ion.

Keywords

Triplet State Photoelectron Spectrum Proton Affinity Molecular Orbital Calculation Hydrogen Atom Transfer 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© American Society for Mass Spectrometry 1999

Authors and Affiliations

  • Paul G. Wenthold
    • 1
    Email author
  • Jun Hu
    • 2
  • Robert R. Squires
    • 2
  • W. Carl Lineberger
    • 3
  1. 1.Department of Chemistry and BiochemistryTexas Tech UniversityLubbockUSA
  2. 2.Department of ChemistryPurdue UniversityWest LafayetteUSA
  3. 3.JILA, University of Colorado and National Institute of Standards and Technology, and Department of Chemistry and BiochemistryUniversity of ColoradoBoulderUSA

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