Journal of Physical Chemistry A, Vol.111, No.31, 7529-7536, 2007
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 the enol form for all structures and demonstrate the efficacy of a new approach to DFT calculations that includes dispersion interactions.