Repository: Freie Universit├Ąt Berlin, Math Department

Structure and Photodissociation Spectra of Mixed Ethene-Acetone Clusters

Buck, U. and Hobein, M. and Schmidt, B. (1993) Structure and Photodissociation Spectra of Mixed Ethene-Acetone Clusters. J. Chem. Phys., 98 (12). pp. 9425-9431.


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Infrared photodissociation spectra of the mixed complexes C2H4-CH3COCH3 and C2H4-(CH3COCH3)2 have been observed after size selecting them by scattering from a helium beam combined with mass spectrometric detection. The excitation of the v7-out of plane symmetric wagging mode of ethene near its gas phase frequency at 949.3 cm-1 with a cw-CO2 laser leads to a characteristic depletion of the cluster beam. The dissociation spectrum of the 1:1 complex can be explained by two peaks at 950.8 and 961.6 cm-1. Calculations of minimum energy configurations and band shifts based on an empirical site-site potential show that these frequencies can be attributed to the absorption of two different isomers. They correspond to the two different binding patterns of the H atoms of ethene to the O atom of acetone and those of acetone to the C-C group of ethene, respectively. For the 1:2 complex, a large peak at 958.5 cm-1 and a smaller onearound 940.5 cm-1 are found which can be explained in a similar manner by several isomers found in the structure calculations.

Item Type:Article
Subjects:Physical Sciences > Physics > Mathematical & Theoretical Physics > Computational Physics
Physical Sciences > Chemistry > Physical Chemistry
Physical Sciences > Physics > Chemical Physics
ID Code:872
Deposited By: Burkhard Schmidt
Deposited On:18 Mar 2010 07:45
Last Modified:03 Mar 2017 14:40

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