A Combined Matrix Isolation and ab Initio Study of Bromine Oxides
2006; American Chemical Society; Volume: 110; Issue: 20 Linguagem: Inglês
10.1021/jp060586x
ISSN1520-5215
AutoresÓscar Gálvez, Anja Zoermer, A. Loewenschuss, Hinrich Grothe,
Tópico(s)Photochemistry and Electron Transfer Studies
ResumoBromine oxides have been generated by passing a mixture of Br2/O2/Ar through a microwave discharge. The products were stabilized at 6.5 K in an excess amount of argon. Infrared spectroscopy was used to analyze the species formed; experiments with enriched 18O2 and ab initio calculations were carried out to assist in the assignment of the spectra. Besides the known species BrO, OBrO, and BrBrO, spectroscopic evidence for BrOBrO, BrBrO2, and a new isomer of Br2O3 is reported for the first time. Extensive comparisons are drawn between the present studies and previous experimental and theoretical works. The chemistry involved in the production of the observed compounds is discussed. The assignments are corroborated by the good correlation between observed and calculated band positions and intensities.
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