Hannover 2010 – scientific programme

Parts | Days | Selection | Search | Downloads | Help

MO: Fachverband Molekülphysik

MO 17: Biomolecules

MO 17.4: Talk

Wednesday, March 10, 2010, 17:15–17:30, F 142

Gas phase infrared spectra and corresponding DFT calculations of α, ω diphenylpolyenes — •Michaela Braun, Lars Biemann, and Karl Kleinermanns — Heinrich Heine Universität, Düsseldorf, Deutschland

Gas phase Fourier Transform InfraRed (FTIR) spectra of the homologue series of α, ω-diphenylpolyenes consisting of trans- and cis-stilbene, diphenylbutadiene (DPB) and diphenylhexatriene (DPH) are presented. These gas phase FTIR-spectra were obtained by a fast thermal heating technique that enables vaporization without decomposition. Infrared marker bands for the cis-isomers of the polyenes have been identified by density functional calculations at the B3LYP/TZVP level of theory. The measured infrared spectra are free from solvent effects and in very good agreement with the calculated vibrational frequencies. Furthermore, no indications for the thermal formation of DPB or DPH cis-isomers could be observed.