Influence of proton transfer on the geometry of the donor and acceptor in NHN+ hydrogen bonds

Journal of Molecular Structure

Volumn 976, Issue 1-3, 2010, Pages 11-18

  Majerz, Irena ^a   Olovsson, Ivar ^b  

^a UNIVERSITY OF WROC AW   (Poland)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

Influence on geometry; NHN+ hydrogen bonds; Proton transfer; Theoretical calculations

Indexed keywords

DONOR AND ACCEPTOR; GAUSSIAN03; GEOMETRICAL FEATURES; INFLUENCE ON GEOMETRY; INTERNAL STRUCTURE; INTRAMOLECULAR HYDROGEN BOND; NHN+ HYDROGEN BONDS; THEORETICAL CALCULATIONS;

COMPUTATIONAL GEOMETRY; HYDROGEN; ISOMERS; PROTON TRANSFER;

HYDROGEN BONDS;

EID: 77953714300     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.10.012     Document Type: Article

References (19)

1. Olovsson I., and Jönsson P.-G. In: Schuster P., Zundel G., and Sandorfy C. (Eds). The Hydrogen Bond - Recent Developments in Theory and Experiments (1976), North-Holland, Amsterdam 426-433
2. Jeffrey G.A., and Saenger W. Hydrogen Bonding in Biological Structures (1991), Springer, Berlin
3. Steiner T. J. Phys. Chem. A 102 (1998) 7041
4. Steiner T. Angew. Chem. Int. Ed. 41 (2002) 48
5. Majerz I., Malarski Z., and Sobczyk L. Chem. Phys. Lett. 274 (1997) 361
6. Majerz I., and Koll A. Acta Cryst. B60 (2004) 406
7. Majerz I., and Olovsson I. Acta Cryst. B63 (2007) 650
8. Bock H., Vaupel T., and Schodel H. J. Prakt. Chem. 339 (1997) 26
9. Potrzebowski M.J., Cypryk M., Michalska M., Koziol A.E., Kazmierski S., Ciesielski W., and Klinowski J. J. Phys. Chem. B 102 (1998) 4488
10. Alder R.W., Eastment P., Hext N.M., Moss R.E., Orpen A.G., and White J.M. J. Chem. Soc. Chem. Commun. (1988) 1528
11. White J.M., Alder R.W., and Orpen A.G. Acta Cryst. C44 (1988) 662
12. Springborg J., Kofod P., Olsen C.E., Toftlund H., and Sötofte I. Acta Chem. Scand. 49 (1995) 547
13. Bartoszak E., Jaskolski M., Grech E., Gustafsson T., and Olovsson I. Acta Cryst. B50 (1994) 358
14. Staab H.A., Hone M., and Krieger C. Tetrahedron Lett. 29 (1988) 1905
15. Staab H.A., Diehm M., and Krieger C. Tetrahedron Lett. 36 (1995) 2967
16. Etkin N., Ong C.M., and Stephan D.W. Organometallics 17 (1998) 3656
17. Allen F.H. Acta Cryst. B58 (2002) 380
18. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision E.01, Gaussian, Inc., Wallingford CT, 2004.
19. Majerz I., and Olovsson I. Phys. Chem. Chem. Phys. 10 (2008) 3043