Nonplanarity of Adenine: Vibrational Transition Moment Angle Studies in Helium Nanodroplets
| Autor: | Roger E. Miller, Feng Dong, Myong Yong Choi, Sang Woo Han |
|---|---|
| Rok vydání: | 2008 |
| Předmět: |
Quantitative Biology::Biomolecules
Adenine Chemical polarity Transition dipole moment Ab initio chemistry.chemical_element Helium Vibration Quantitative Biology::Genomics Tautomer Molecular physics chemistry.chemical_compound Monomer Isomerism chemistry Ab initio quantum chemistry methods Molecular vibration Physics::Atomic and Molecular Clusters Nanoparticles Amines Physics::Chemical Physics Physical and Theoretical Chemistry Atomic physics |
| Zdroj: | The Journal of Physical Chemistry A. 112:7185-7190 |
| ISSN: | 1520-5215 1089-5639 |
| DOI: | 10.1021/jp8012688 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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