Stuttgart 2012 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 14: Poster 2: Biomolecules, Electronic Spectroscopy, Experimental Techniques, Quantum Chemistry, Various Topics

MO 14.3: Poster

Mittwoch, 14. März 2012, 16:30–19:00, Poster.IV

IR/UV investigations on aluminum containing peptides — •Tobias Martin, Philip Bialach, and Markus Gerhards — TU Kaiserslautern, Physikal. und Theoret. Chemie, 67663 Kaiserslautern

The interplay of peptides with metal ions is of great interest to obtain information on e.g. ion transport. In order to figure out different binding motifs in metal/peptide clusters the attachment of Al⁺ and Al³⁺ cations to the backbone of different protected amino acids and dipeptide models is investigated by means of mass selective IR photodissociation spectroscopy. In case of clusters with very strong bonds between the aluminum cation and an amino acid containing an aromatic chromophore a new variant of combined IR+UV spectroscopy is applied in order to yield the vibrational spectra in the NH stretching region. The comparison with extensive ab initio and DFT calculations leads to suggestions for structural arrangements. The aluminum cations are attached to the carbonyl groups and lead to strong changes of the backbone conformation. The structures are discussed with respect to their stability, spin state and the influence of the aromatic chromophore.