Verification of the vibrational exciton approach for CO[sub 2] and N[sub 2]O nanoparticles
- Journal Article
Rights / licenseIn Copyright - Non-Commercial Use Permitted
It is investigated how far the vibrational exciton approximation is suitable to describe the characteristic band shapes in the infrared spectra of CO2 and N2O nanoparticles. The particles typically contain between 50 and 104 molecules and have spatial dimensions between 1 and 10 nm. The accuracy of the exciton approach is estimated by comparison with experimental data and quantum chemical calculations for small clusters. The spectral changes due to different particle shapes and particle sizes are investigated with respect to the estimated accuracy. This includes the determination of a typical effective range for the dipole–dipole coupling. Show more
Journal / seriesThe Journal of Chemical Physics
Pages / Article No.
Organisational unit03961 - Signorell, Ruth / Signorell, Ruth
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