The mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine.
نویسندگان
چکیده
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.
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ورودعنوان ژورنال:
- The journal of physical chemistry. A
دوره 111 31 شماره
صفحات -
تاریخ انتشار 2007