Nonplanarity of adenine: vibrational transition moment angle studies in helium nanodroplets.
Mid-infrared spectra are reported for adenine monomer in helium nanodroplets. We show that there is only one tautomer of adenine, the global minimum structure, observed in helium nanodroplets and characterized by using ab initio calculations and the measurement of vibrational transition moment angles (VTMAs) for the various vibrational modes of the adenine monomer. On the basis of the VTMA analysis on the amino group of the global minimum tautomer, which gives insights into its nonplanarity, a detailed VTMA study of three lowest-energy amino tautomers of adenine is discussed in this study.
Choi
Myong Yong
MY
Department of Chemistry and Research Institute of Natural Science, Gyeongsang National University, Jinju 660-701, Korea. mychoi@gnu.kr
Dong
Feng
F
Han
Sang Woo
SW
Miller
Roger E
RE
D000225:Adenine / Q000737:chemistry*; D000588:Amines / Q000737:chemistry; D006371:Helium / Q000737:chemistry*; D007536:Isomerism; D053758:Nanoparticles / Q000737:chemistry*; D014732:Vibration
D000588:Amines; D006371:Helium; D000225:Adenine