Structure and vibrational frequencies of CaF2 aggregates isolated in a low temperature matrix

The FTIR spectra of molecular CaF2 were measured in argon matrices at cryogenic temperatures ranging from 10 K to 30K according to the adopted experimental conditions. Infrared absorptions of the simplest aggregates such as the dimer Ca2F4 and the trimer Ca3F6 were identified through experiments and were assigned employing the results of polarizable ion calculations. D2h and D2d symmetry structures are proposed for the dimer and the trimer respectively.