Journal of Physical Chemistry A, Vol.110, No.9, 2890-2897, 2006
Unraveling the origin of band shapes in infrared spectra of N2O-(CO2)-C-12 and (CO2)-C-12-(CO2)-C-13 ice particles
Band structures in the region of strong infrared absorption bands for different N2O-(CO2)-C-12 and (CO2)-C-12-(CO2)-C-13 composite particles are investigated by combining quantum mechanical exciton calculations with systematic experimental investigations. The ice particles are generated by collisional cooling and characterized with rapid-scan infrared spectroscopy. The size of the particles lies between similar to 10 and 100 nm. The calculated spectra show excellent agreement with the experimental data. This work leads to a detailed understanding on a molecular level of shape effects in pure and statistically mixed particles as well as of the characteristic features observed for core-shell particles.