Experimental and Theoretical Studies on the Hydrates of Halogene Oxides

01.01.2008 - 31.12.2009
Research funding project
In order to gain a deeper insight into the critical processes and reaction cycles in the atmosphere and in sensitive ecosystems, a sound knowledge of the properties of halogen species in combination with water molecules, including the formation, reactivity, and spectroscopic data of the resulting aggregates, is indispensable. This is all the more necessary in the case of bromine oxides since no spectroscopic data are to be found for bromine -water aggregates, and only very few studies on bromine oxide compounds with one or more water molecules are available [Sun 2005]. In this respect recent new calculations have shown that BrO hydrates are rather stable, e.g. with -3.5 kcal/mol for the monohydrate and -6.4 kcal/mol for the dihydrate [Galvez 2006b] and it has also been found that these complexes exhibit an unusual type of interaction linking the bromine atom and the oxygen atom of the water molecule, which still remains to be investigated in the laboratory. To achieve all the above-mentioned goals a detailed experimental and theoretical study is proposed

People

Project leader

Institute

Grant funds

  • Österr. Akademie der Wissenschaften (National) Austrian Academy of Sciences

Keywords

GermanEnglish
Spektroskopiespectroscopy
Molekülchemiemolecular chemistry
Matrixisolationmatrix isolation

External partner

  • Universidad Complutense Madrid

Publications