Inhalt des Dokuments
Geometric and Electronic Structure of Silicon-containing Aggregates
- IR spectra of two Si2H5+ isomers calculated at the B3LYP/6-311G(2df,2pd) level.
- © Copyright??
This project aims at the characterization of
silicon-containing clusters generated in molecular beams in order to
understand at the molecular level their structural, energetic,
electronic (optical) and chemical properties as a function of the
following adjustable parameters: Si cluster size, degree of hydrogen
passivation at the Si cluster surface, charge state, type of
adsorbate, degree of microsolvation, introduction of dopant atoms, and
the substitution of functional groups. The techniques applied include
mass spectrometry (cluster selection, composition, reactivity, binding
energies), IR and UV photodissociation and photodetachment (geometric
and electronic structure) and quantum chemistry (potential energy
landscape, interpretation of experimental spectra) applied to
size-selected cluster ions.
For more information, visit the group-homepage .
ContactProf. Dr. Otto Dopfer
+49 (0)30 314-23017