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.
Abo-riziq
Ali
A
Department of Chemistry and Biochemistry, University of California Santa Barbara, California 93106-9510, USA.
Crews
Bridgit O
BO
Compagnon
Isabelle
I
Oomens
Jos
J
Meijer
Gerard
G
Von Helden
Gert
G
Kabelac
Martin
M
Hobza
Pavel
P
de Vries
Mattanjah S
MS
D003848:Deoxyguanine Nucleotides / Q000737:chemistry*; D006147:Guanine / Q000031:analogs & derivatives* / Q000737:chemistry; D006151:Guanosine / Q000737:chemistry*; D008968:Molecular Conformation; D015394:Molecular Structure; D011789:Quantum Theory; D013055:Spectrophotometry, Infrared / Q000379:methods*; D014466:Ultraviolet Rays
D003848:Deoxyguanine Nucleotides; D006151:Guanosine; D006147:Guanine; C007257:2'-deoxyguanosine 5'-phosphate; C014542:9-ethylguanine