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Creators/Authors contains: "Wensink, Frank J."

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  1. ; ; ; (, Physical Chemistry Chemical Physics)
    A combination of IR multiple-photon dissociation (IRMPD) action spectroscopy and quantum chemical calculations was employed to investigate the [M,C,2H]+(M = Fe and Co) species. 
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    Free, publicly-accessible full text available March 27, 2025
  2. ; ; ; ; ; (, Physical Chemistry Chemical Physics)
    A combination of infrared multiple-photon dissociation (IRMPD) action spectroscopy and quantum chemical calculations was employed to investigate the [M,C,2H]+(M = Ru and Rh) species. 
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    Free, publicly-accessible full text available April 17, 2025
  3. ; ; ; (, International Journal of Mass Spectrometry)
    Methane and cyclopropane (c-C3H6) were reacted with Ru+ ions in a room temperature ion trap and the resulting products were identified using a combination of mass spectrometry, IR action spectroscopy, and density functional theory calculations. In the reaction with methane, no products with odd numbers of carbon atoms were located, whereas significant amounts of products with even numbers of carbon atoms were observed. We identified [Ru,2C,4H]+ as the Ru+ ion with an ethene ligand attached, and [Ru,4C,6H]+ as a Ru(η4-cis-1,3-butadiene)+ complex. The barrier toward formation of Ru(C2H4)+ + 2 H2 was calculated at the B3LYP/def2-TZVPPD level to be 0.80 eV above the energy of the ground state Ru+ (4F) + 2 CH4 reactants. In the reaction of c-C3H6 with Ru+, we identified the dehydrogenation product [Ru,3C,4H]+ as Ru(η2-propyne)+, [Ru,2C,2H]+ as Ru+ with an ethyne ligand, and [Ru,5C,5H]+ as Ru(η5-c-C5H5)+ having a cyclopentadienyl ligand. 
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    Full Text Available 
  4. ; ; ; ; ; (, The Journal of Physical Chemistry A)
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  5. ; ; ; (, Inorganic Chemistry)