STRUCTURE AND PHOTODISSOCIATION SPECTRA OF MIXED ETHENE ACETONE CLUSTERS

Citation
U. Buck et al., STRUCTURE AND PHOTODISSOCIATION SPECTRA OF MIXED ETHENE ACETONE CLUSTERS, The Journal of chemical physics, 98(12), 1993, pp. 9425-9431
Citations number
36
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
98
Issue
12
Year of publication
1993
Pages
9425 - 9431
Database
ISI
SICI code
0021-9606(1993)98:12<9425:SAPSOM>2.0.ZU;2-2
Abstract
Infrared photodissociation spectra of the mixed complexes C2H4-CH3COCH 3 and C2H4-(CH3COCH3)2 have been observed after size selecting them by scattering from a helium beam combined with mass spectrometric detect ion. The excitation of the nu7-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 dissociat ion 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 ban d shifts based on an empirical site-site potential show that these fre quencies 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 0 atom of acetone and those of acetone to the C-C gro up of ethene, respectively. For the 1:2 complex, a large peak at 958.5 cm-1 and a smaller one around 940.5 cm-1 are found which can be expla ined in a similar manner by several isomers found in the structure cal culations.