Photodynamics of clusters of the major components of the atmosphere
Weakly interacting molecules leading to collisional complexes, and to either stable or metastable dimers, potentially play an important role in molecular and surface physics, in astrophysics, in atmospheric photochemistry and physics, and climate. Accurate intermolecular potential energy surfaces fo...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2004-01-01
|
| Series: | International Journal of Photoenergy |
| Online Access: | http://dx.doi.org/10.1155/S1110662X0400008X |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Summary: | Weakly interacting molecules leading to collisional complexes, and to either stable or metastable
dimers, potentially play an important role in molecular and surface physics, in astrophysics, in atmospheric
photochemistry and physics, and climate. Accurate intermolecular potential energy surfaces for the major
components of the atmosphere, leading to the characterization of the O2-O2, N2-N2 and N2-O2 dimers, have
been obtained from the analysis of scattering experiments from our laboratory, also exploiting where available
second virial coefficient data. A spherical harmonic expansion functional form describes the geometries
of the dimers and accounts for the relative contributions to the intermolecular interaction from components
of different nature. For O2-O2, singlet, triplet and quintet surfaces are obtained accounting for the role of
spin-spin coupling. The new surfaces allow the full characterization of structure and internal dynamics of
the clusters, whose bound states and eigenfunctions are obtained by exact quantum mechanics. Besides the
information on the nature of the bond, these results can be of use in modelling the role of dimers in air
and the calculated rotovibrational levels provide a guidance for the analysis of spectra, thus establishing the
ground for atmospheric monitorings. Reference is also briefly made to recent insight on the role of water. |
|---|---|
| ISSN: | 1110-662X |