Optical properties of metal cluster-protein hybrids


The structural properties and stationary absorption spectra will be determined using time dependent density functional theory (TDDFT) and its tight-binding version (TDDFTB). For description of metal cluster-protein complexes and microsolvated and deposited hybrid systems, the combination of quantum mechanical and molecular mechanical methods (QM/MM) and the embedded cluster approach will be used. Experiments will be performed using a quadrupole ion trap mass spectrometer, coupled to an electrospray ionization source. Optical spectra are recorded by measuring the yield of fragmentation of the complex as a function of the laser wavelength (action spectroscopy). Work program and schedule: a) Metal cluster-peptide complexes; b) Metal cluster-protein complexes; c) Effect of the environment


Principal Investigators
Bonacic-Koutecky, Vlasta Prof. i. R. Dr. rer. nat. (Details) (Physical and Theoretical Chemistry I)

Duration of Project
Start date: 01/2010
End date: 12/2012

Last updated on 2020-26-11 at 15:08