The matrix-isolated molecular complexes CO/XF (X=Cl,Br,I) and the molecular structure of FC(O)Br

Journal Article · Wed Dec 15 00:00:00 EST 2004 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.1814634· OSTI ID:20658140

Garcia, Placido; Willner, Helge; Oberhammer, Heinz; Francisco, Joseph S ^[1]

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1. FB C, Anorganische Chemie, Bergische Universitaet Wuppertal, Gaussstrasse 20, D-42097 Wuppertal (Germany)

FC(O)Br has been synthesized, and its IR spectrum in the gas phase and isolated in an Ar matrix, as well as, its Raman spectrum in the solid state at -196 deg. C has been analyzed. Its molecular structure has been determined and its UV has been measured. FC(O)Br and FC(O)Cl has been photodissociated in an argon matrix at 17 K with a 193 nm laser. The photolysis produces CO and XF which recombine to form CO/XF complexes. The formation of complexes are followed by the shift of the normal vibration modes with respect to CO and XF isolated in argon matrix. In the case of FC(O)Br, three isomers are identified, OC{center_dot}{center_dot}{center_dot}BrF, OC{center_dot}{center_dot}{center_dot}FBr, and CO{center_dot}{center_dot}{center_dot}BrF, whereas for FC(O)Cl only one isomer is observed, OC{center_dot}{center_dot}{center_dot}ClF. High level quantum chemical calculations are used to help the assignment of the different isomers.

• OSTI ID: 20658140
• Journal Information: Journal of Chemical Physics, Vol. 121, Issue 23; Other Information: DOI: 10.1063/1.1814634; (c) 2004 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
ARGON
BROMINE COMPOUNDS
CHLORINE COMPOUNDS
COMPLEXES
INFRARED SPECTRA
IODINE COMPOUNDS
ISOMERS
MATRIX ISOLATION
MOLECULAR STRUCTURE
ORGANIC COMPOUNDS
PHOTOLYSIS
PHOTON-MOLECULE COLLISIONS
RAMAN SPECTRA
ULTRAVIOLET SPECTRA
VIBRATIONAL STATES