The research that we propose to undertake is primarily aimed
at developing the chemistry of highly oxidized species. The
dominate emphasis will be on matrix-isolation
spectroscopy, fluorine chemistry
and quantum-chemical calculations and can be summarized as “Computer
Aided Synthesis of New Species”.
Accordingly to the above mentioned guideline we investigate
thermochemical and kinetic stabilities of highly oxidized molecules
or intermediates by state-of-the-art quantum-chemical calculations.
Based on these calculations, possible candidates will be chosen
for the proposed matrix-isolation experiments.
As matrix-isolation techniques uses mainly IR and Raman spectrsocopy
the calculation of accurate molecular properties (harmonic,
anharmonic frequencies, isotopic shifts) for characterizing
the species in question is necessary.
Further topics of interest are: