Low-lying excited states and nonradiative processes of the adenine analogues 7H- and 9H-2-aminopurine

Journal of Chemical Physics

Volumn 134, Issue 11, 2011, Pages

  Lobsiger, Simon ^a   Sinha, Rajeev K ^a   Trachsel, Maria ^a   Leutwyler, Samuel ^a  

^a UNIVERSITY OF BERN   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

2-AMINOPURINE; 2-AMINOPURINE (2AP); B3LYP CALCULATIONS; COUPLED-CLUSTER THEORY; DARK STATE; IN-PLANE; ISOTOPOMERS; LOW FREQUENCY BAND; LOW-LYING EXCITED STATE; NON-RADIATIVE TRANSITIONS; NONRADIATIVE PROCESS; OUT-OF-PLANE; OUT-OF-PLANE VIBRATIONS; SECOND ORDERS; TIME-DEPENDENT; TRANSITION DIPOLE MOMENTS; TWO-COLOR RESONANT TWO-PHOTON; VIBRONIC BANDS; VIBRONIC EXCITATION; VIBRONIC SPECTRA;

DEFORMATION; FREQUENCY BANDS; IONIZATION POTENTIAL; PHOTOIONIZATION;

EXCITED STATES;

2 AMINOPURINE; ADENINE; DRUG DERIVATIVE;

ALGORITHM; ARTICLE; CHEMISTRY; ELECTRON; ISOMERISM; METHODOLOGY; PHOTON; QUANTUM THEORY; ROTATION; SPECTROSCOPY; VIBRATION;

2-AMINOPURINE; ADENINE; ALGORITHMS; ELECTRONS; ISOMERISM; PHOTONS; QUANTUM THEORY; ROTATION; SPECTRUM ANALYSIS; VIBRATION;

EID: 79953169879     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3567090     Document Type: Article

References (30)

1. P. A. Fagan, C. Fabrega, R. Eritja, M. F. Goodman, and D. E. Wemmer, Biochemistry 35, 4026 (1996). 10.1021/bi952657g (Pubitemid 26113459)
2. J. T. Stivers, Nucleic Acids Res. 26, 3837 (1998). 10.1093/nar/26.16.3837 (Pubitemid 28367993)
3. Y. Jiao, S. Stringfellow, and H. Yu, J. Biomol. Struct. Dyn. 19, 929 (2002). 10.1017/S0962492902000028
4. B. J. Lee, M. Barch, E. W. Castner, J. Voelker, and K. J. Breslauer, Biochemistry 46, 10756 (2007). 10.1021/bi7005674 (Pubitemid 47463030)
5. A. Broo and A. Holmn, Chem. Phys. 211, 147 (1996). 10.1016/0301-0104(96) 00184-X (Pubitemid 126141454)
6. K. A. Seefeld, C. Pltzer, D. Lwenich, T. Hber, R. Linder, K. Kleinermanns, J. Tatchen, and C. M. Marian, Phys. Chem. Chem. Phys. 7, 3021 (2005). 10.1039/b505954b (Pubitemid 41223757)
7. K. Feng, G. E. K. Seefeld, and K. Kleinermanns, ChemPhysChem 10, 886 (2009). 10.1002/cphc.200800816
8. A. Holmen, B. Norden, and B. Albinsson, J. Am. Chem. Soc. 119, 3114 (1997). 10.1021/ja9635600 (Pubitemid 27204526)
9. E. Nir, K. Kleinermanns, L. Grace, and M. S. de Vries, J. Phys. Chem. A 105, 5106 (2001). 10.1021/jp0030645 (Pubitemid 35377941)
10. A. Broo and A. Holmen, J. Phys. Chem. A 101, 3589 (1997). 10.1021/jp963928f
11. A. Broo, J. Phys. Chem. A 102, 526 (1998). 10.1021/jp9713625
12. J. M. Jean and K. Hall, J. Phys. Chem. A 104, 1930 (2000). 10.1021/jp9938258
13. L. Serrano-Andres, M. Merchan, and A. C. Borin, Proc. Natl. Acad. Sci. U.S.A. 103, 8691 (2006). 10.1073/pnas.0602991103 (Pubitemid 43880344)
14. S. Perun, A. L. Sobolewski, and W. Domcke, Mol. Phys. 104, 1113 (2006). 10.1080/00268970500417341
15. R. K. Neely, S. W. Magennis, D. T. F. Dryden, and A. C. Jones, J. Phys. Chem. B 108, 17606 (2004). 10.1021/jp0490857
16. C. E. Crespo-Hernandez, B. Cohen, P. M. Hare, and B. Kohler, Chem. Rev. 104, 1977 (2004). 10.1021/cr0206770
17. Y. Lee, M. Schmitt, K. Kleinermanns, and B. Kim, J. Phys. Chem. A 110, 11819 (2006). 10.1021/jp063890z (Pubitemid 44787532)
18. N. J. Kim, G. Jeong, Y. S. Kim, J. Sung, S. K. Kim, and Y. D. Park, J. Chem. Phys. 113, 10051 (2000). 10.1063/1.1322072 (Pubitemid 32076899)
19. TURBOMOLE, a development of Universitt Karlsruhe (TH) and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007, version 6.0 2009; available at http://www.turbomole.com.
20. R. Ramaekers, L. Adamowicz, and G. Maes, Eur. Phys. J. D 20, 375 (2002). 10.1140/epjd/e2002-00160-9 (Pubitemid 36185336)
21. See supplementary material at http://dx.doi.org/10.1063/1.3567090 E-JCPSA6-134-060109 for additional tabular material on 2-aminopurine.
22. J. A. Frey, A. Mller, H.-M. Frey, and S. Leutwyler, J. Chem. Phys. 121, 8237 (2004). 10.1063/1.1795673
23. R. Leist, J. A. Frey, P. Ottiger, H. M. Frey, S. Leutwyler, R. A. Bachorz, and W. Klopper, Angew. Chem., Int. Ed. 46, 1433 (2007). 10.1002/anie.200701171 (Pubitemid 47556176)
24. P. Ottiger, C. Pfaffen, R. Leist, S. Leutwyler, R. A. Bachorz, and W. Klopper, J. Phys. Chem. B 113, 2937 (2008). 10.1021/jp8110474
25. P. Ottiger, J. A. Frey, H.-M. Frey, and S. Leutwyler, J. Phys. Chem. A 113, 5280 (2009). 10.1021/jp811359k
26. -1 in Refs. is in air.
27. PGOPHER, a program for simulating rotational structure, University of Bristol, version 6.0.111, C. M. Western; available at http://pgopher.chm.bris. ac.uk.
28. A. Held, B. B. Champagne, and D. Pratt, J. Chem. Phys. 95, 8732 (1991). 10.1063/1.461209
29. J. Smagowicz and K. L. Wierzchowski, J. Lumin. 8, 210 (1974). 10.1016/0022-2313(74)90057-X
30. M. El-Sayed, Acc. Chem. Res. 1, 8 (1968). 10.1021/ar50001a002