IR-UV double-resonance spectroscopy of the nucleobase adenine

被引:119
作者
Plützer, C
Nir, E
de Vries, MS
Kleinermanns, K
机构
[1] Univ Dusseldorf, Inst Phys Chem & Elektrochem 1, D-40225 Dusseldorf, Germany
[2] Hebrew Univ Jerusalem, Dept Chem, IL-91904 Jerusalem, Israel
[3] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA
关键词
D O I
10.1039/b107997b
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We present R2PI and IR-UV double resonance spectra of the nucleobase adenine seeded in a supersonic jet. We show that there is only one tautomer of adenine which absorbs in the wavelength range 36 050 to 36 700 cm(-1). The IR spectra, measured in the range 3200 to 3700 cm(-1), show bands at 3452, 3508 and 3569 cm(-1), which we assign to the symmetric NH2, N-H and antisymmetric NH2 stretching vibrations of a single tautomer of adenine. We compare the experimental IR-UV double resonance spectra with ab initio based normal mode calculations. The observed tautomer is most probably the 9H amino-form of adenine.
引用
收藏
页码:5466 / 5469
页数:4
相关论文
共 15 条
[1]  
Blum HF, 1959, CARCINOGENESIS ULTRA
[2]   A STUDY OF THE MAJOR GAS-PHASE TAUTOMER OF ADENINE BY MICROWAVE SPECTROSCOPY [J].
BROWN, RD ;
GODFREY, PD ;
MCNAUGHTON, D ;
PIERLOT, AP .
CHEMICAL PHYSICS LETTERS, 1989, 156 (01) :61-63
[3]   The infrared spectra of uracil, thymine, and adenine in the gas phase [J].
Colarusso, P ;
Zhang, KQ ;
Guo, BJ ;
Bernath, PF .
CHEMICAL PHYSICS LETTERS, 1997, 269 (1-2) :39-48
[4]  
Foresman J., 2015, Exploring Chemistry with Electronic Structure Methods, V3rd
[5]  
Frisch M.J., 2016, Gaussian 16 Revision C. 01. 2016, V16, P01
[6]   A DFT study of the water-assisted intramolecular proton transfer in the tautomers of adenine [J].
Gu, JD ;
Leszczynski, J .
JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (15) :2744-2750
[7]  
HOLMEN A, 1995, INT J QUANTUM CHEM, P113
[8]   Structure and vibrations of phenol (H2O)7,8 studied by infrared-ultraviolet and ultraviolet-ultraviolet double-resonance spectroscopy and ab initio theory [J].
Janzen, C ;
Spangenberg, D ;
Roth, W ;
Kleinermanns, K .
JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (20) :9898-9907
[9]  
JANZEN C, 1996, THESIS H HEINE U DUS
[10]   Resonant two-photon ionization and laser induced fluorescence spectroscopy of jet-cooled adenine [J].
Kim, NJ ;
Jeong, G ;
Kim, YS ;
Sung, J ;
Kim, SK ;
Park, YD .
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (22) :10051-10055