Why is the N1-H stretch vibration frequency of guanine shifted upon dimerization to the red and the amino N-H stretch vibration frequency to the blue?

Physical Chemistry Chemical Physics

Volumn 5, Issue 6, 2003, Pages 1290-1294

  Hobza, Pavel ^a   Špirko, Vladimír ^a  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

FUNCTIONAL GROUP; GUANINE; HYDROGEN; NITROGEN;

AB INITIO CALCULATION; ANALYTIC METHOD; ARTICLE; DENSITY; DIMERIZATION; ELECTRICITY; ELECTRON; EXPERIMENTAL MODEL; HYDROGEN BOND; ISOMER; PROTON TRANSPORT; VIBRATION;

EID: 0037444349     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b210223d     Document Type: Article

References (10)

1. P. Hobza and J. Šponer, Chem. Rev., 1999, 99, 3247.
2. E. Nir, Ch. Janzen. P. Imhof, K. Kleinermanns and M. S. de Vries, Phys. Chem. Chem. Phys., 2002, 4, 740.
3. A. E. Reed, L. A. Curtiss and F. Weinhold, Chem. Rev., 1988, 88, 899.
4. P. Hobza and Z. Havlas, Chem. Rev., 2000, 100, 4253.
5. V. van der Veken, W. A. Herrebout, R. Szostak, D. N. Schepkin, Z. Havlas and P. Hobza, J. Am. Chem. Soc., 2001, 123, 12 290.
6. W. Zierkiewicz, D. Michalska, Z. Havlas and P. Hobza, Chem. Phys. Chem., 2002, 3, 511.
7. S. F. Boys and F. Bernardi, Mol. Phys., 1970, 19, 372.
8. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski. G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P, Piskorz, I. Komaroni, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzales, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 98, revisions A.3 and A.7, Gaussian, Inc., Pittsburgh PA, 1998.
9. B. H. Besler, K. M. Merz and P. A. Kollman, J. Comput. Chem., 1990, 11, 431.
10. E. Nir, Ch. Janzen, P. Imhof, K. Kleinermanns and M. S. de Vries, J. Chem. Phys., 2001, 115, 4604.