Darmstadt 2008 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 1: Biomoleküle
MO 1.2: Vortrag
Montag, 10. März 2008, 14:30–14:45, 3F
Structural Assignment of Adenine Aggregates in CDCl3 — •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
We reinvestigated the self-association of 9-substituted adenine derivatives in CDCl3 solutions and present the infrared spectra of 9-ethyladenine and N-methyl-9-ethyladenine and its aggregates in the spectral regions between 1500 and 1800 cm−1 and between 2700 and 3600 cm−1. Wavelength dependent absolute extinction coefficients of the monomer and dimers are presented on the basis of a simple deconvolution method. 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.