The mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine

Ali Abo-Riziq, Bridgit O. Crews, Isabelle Compagnon, Jos Oomens, Gerard Meijer, Gert Von Helden, Martin Kabeláč, Pavel Hobza, Mattanjah S. De Vries

Research output: Contribution to journalArticlepeer-review

42 Scopus citations

Abstract

We present the mid-IR (400-1800 cm-1) spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine measured by IR-UV double-resonance spectroscopy. We compare the recorded mid-IR spectra with the spectra of the most stable structures obtained from RI-MP2 and RI-DFT-D calculations. The results confirm the enol form for all structures and demonstrate the efficacy of a new approach to DFT calculations that includes dispersion interactions.

Original languageEnglish
Pages (from-to)7529-7536
Number of pages8
JournalJournal of Physical Chemistry A
Volume111
Issue number31
DOIs
StatePublished - Aug 9 2007

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