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

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...

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Bibliographic Details
Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2007-08, Vol.111 (31), p.7529-7536
Main Authors: Abo-riziq, Ali, Crews, Bridgit O, Compagnon, Isabelle, Oomens, Jos, Meijer, Gerard, Von Helden, Gert, Kabeláč, Martin, Hobza, Pavel, de Vries, Mattanjah S
Format: Article
Language:English
Subjects:
Deoxyguanine Nucleotides - chemistry
Guanine - analogs & derivatives
Guanine - chemistry
Guanosine - chemistry
Molecular Conformation
Molecular Structure
Quantum Theory
Spectrophotometry, Infrared - methods
Ultraviolet Rays
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Summary: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.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp072183i