The Mid-IR Spectra of 9-Ethyl Guanine, Guanosine, and 2-Deoxyguanosine

Abo-Riziq, Ali; Crews, Bridgit O.; Compagnon, Isabelle; Oomens, Jos; Meijer, Gerard; Helden, Gert von; Kabelác, Martin; Hobza, Pavel; de Vries, Mattanjah S.

doi:10.1021/jp072183i

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The Mid-IR Spectra of 9-Ethyl Guanine, Guanosine, and 2-Deoxyguanosine

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Meijer, Gerard
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Helden, Gert von
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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引用

Abo-Riziq, A., Crews, B. O., Compagnon, I., Oomens, J., Meijer, G., Helden, G. v., Kabelác, M., Hobza, P., & de Vries, M. S. (2007). The Mid-IR Spectra of 9-Ethyl Guanine, Guanosine, and 2-Deoxyguanosine. Journal of Physical Chemistry A, 111(31), 7529-7536. doi:10.1021/jp072183i.

引用: https://hdl.handle.net/11858/00-001M-0000-0011-0050-2

要旨

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.