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 language | English |
---|---|
Pages (from-to) | 7529-7536 |
Number of pages | 8 |
Journal | Journal of Physical Chemistry A |
Volume | 111 |
Issue number | 31 |
DOIs | |
State | Published - Aug 9 2007 |