Hydrogen bonds in the nucleobase-gold complexes: Photoelectron spectroscopy and density functional calculations
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- Guo-Jin Cao
- Institute of Chemistry Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, , Chinese Academy of Sciences, Beijing 100190, China
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- Hong-Guang Xu
- Institute of Chemistry Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, , Chinese Academy of Sciences, Beijing 100190, China
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- Ren-Zhong Li
- Institute of Chemistry Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, , Chinese Academy of Sciences, Beijing 100190, China
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- Weijun Zheng
- Institute of Chemistry Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, , Chinese Academy of Sciences, Beijing 100190, China
説明
<jats:p>The nucleobase-gold complexes were studied with anion photoelectron spectroscopy and density functional calculations. The vertical detachment energies of uracil-Au−, thymine-Au−, cytosine-Au−, adenine-Au−, and guanine-Au− were estimated to be 3.37 ± 0.08 eV, 3.40 ± 0.08 eV, 3.23 ± 0.08 eV, 3.28 ± 0.08 eV, and 3.43 ± 0.08 eV, respectively, based on their photoelectron spectra. The combination of photoelectron spectroscopy experiments and density functional calculations reveals the presence of two or more isomers for these nucleobase-gold complexes. The major isomers detected in the experiments probably are formed by Au anion with the canonical tautomers of the nucleobases. The gold anion essentially interacts with the nucleobases through N-H···Au hydrogen bonds.</jats:p>
収録刊行物
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- The Journal of Chemical Physics
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The Journal of Chemical Physics 136 (1), 014305-, 2012-01-03
AIP Publishing
