title: The mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine.
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.
authors.affiliation: Department of Chemistry and Biochemistry, University of California Santa Barbara, California 93106-9510, USA.
authors.forename: Ali
authors.initials: A
authors.lastname: Abo-riziq
authors.forename: Bridgit O
authors.initials: BO
authors.lastname: Crews
authors.forename: Isabelle
authors.initials: I
authors.lastname: Compagnon
authors.forename: Jos
authors.initials: J
authors.lastname: Oomens
authors.forename: Gerard
authors.initials: G
authors.lastname: Meijer
authors.forename: Gert
authors.initials: G
authors.lastname: Von Helden
authors.forename: Martin
authors.initials: M
authors.lastname: Kabelac
authors.forename: Pavel
authors.initials: P
authors.lastname: Hobza
authors.forename: Mattanjah S
authors.initials: MS
authors.lastname: de Vries
mesh_terms: 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
chemical_list: D003848:Deoxyguanine Nucleotides; D006151:Guanosine; D006147:Guanine; C007257:2'-deoxyguanosine 5'-phosphate; C014542:9-ethylguanine