Darmstadt 2008 – scientific programme
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MO: Fachverband Molekülphysik
MO 16: Biomoleküle
MO 16.5: Poster
Tuesday, March 11, 2008, 14:00–19:00, Poster C1
IR Spectroscopy of self-associated adenine derivates — •Lars Biemann1, Thomas Häber1, Daniela Maydt2, Klaus Schaper2, and Karl Kleinermanns1 — 1Institut für Physikalische Chemie, Heinrich-Heine Universität Düsseldorf, 40225 Düsseldorf, Germany — 2Institut für Organische Chemie, Heinrich-Heine Universität Düsseldorf, 40225 Düsseldorf, Germany
Self-association of 9-substituted adenine derivatives were investigated via IR-spectroscopy in CDCl3 solutions. The infrared spectra of 9-ethyladenine and N-methyl-9-ethyladenine and its aggregates are presented in the mid and near IR spectral regions. Wavelength dependent absolute extinction coefficients of the monomer and dimers are presented on the basis of a simple deconvolution method which is explained in detail. Comparison of the deconvoluted dimer spectra with quantum chemical calculations allows for a structural assignment of the two dimer structures that coexist in 9-ethyladenine/CDCl3 solutions. In contrast, the dimer spectrum of N-methyl-9-ethyladenine is dominated by a single isomer.