A model for resonance-assisted hydrogen bonding in crystals and its graph set analysis

Journal of Physical Chemistry A

Volumn 105, Issue 28, 2001, Pages 6938-6942

  Munn, Robert W ^a   Eckhardt, Craig J ^b  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIMERS; GRAPH THEORY; HYDROGEN BONDS; QUANTUM THEORY; RESONANCE;

GRAPH SET ANALYSIS;

CRYSTALS;

EID: 0035913554     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011038g     Document Type: Article

References (23)

1. Etter, M. C.; MacDonald, J. C.; Bernstein, J. Acta Crystallogr. B 1990, 46, 256-262.
2. Bernstein, J.; Davis, R. E.; Shimoni, L.; Chang, N.-L. Angew. Chem , Int. Ed. Engl. 1995, 34, 1555-1573.
3. Gilli, G.; Bellucci, F.; Ferretti, V.; Bertolasi, V. J. Am. Chem. Soc. 1989, 111, 1023-1028.
4. Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. J. Am. Chem. Soc. 1991, 113, 4917-4925.
5. Gilli, G.; Bertolasi, V.; Ferretti, V.; Gilli, P. Acta Crystallogr. B 1993, 49, 564-576.
6. Gilli, P.; Bertolasi, V.; Ferretti, V.; Gilli, G. J. Am. Chem. Soc. 1994, 116, 909-915.
7. Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Chem.-Eur. J. 1996, 2, 925-934.
8. Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. J. Chem. Soc., Perkin Trans. 2 1997, 945-952.
9. Bertolasi, V.; Ferretti, V.; Gilli, P.; Gilli, G.; Issa, Y. M ; Sherif, O. E. J. Chem. Soc., Perkin Trans. 2 1993, 2223-2228.
10. Bertolasi, V.; Nanni, L.; Gilli, P.; Ferretti, V.; Gilli, G.; Issa, Y. M.; Sherif, O. E. New J. Chem. 1994, 18, 251-261.
11. Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Acta Crystallogr. B 1994, 50, 617-625.
12. Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Acta Crystallogr. B 1995, 51, 1004-1015.
13. Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Acta Crystallogr. B 1998, 54, 50-655.
14. Espinosa, E.; Molins, E ; Lecomte, C. Chem. Phys. Lett. 1998, 285, 170-173.
15. Spackman, M A. Chem. Phys. Lett. 1999, 301, 425-429.
16. Smith, D. A , Ed.; Modeling the Hydrogen Bond. ACS Symposium Series, Vol. 569, American Chemical Society: Washington, DC, 1994.
17. Scheiner, S. Hydrogen Bonding; Oxford University Press: New York, 1997.
18. Pople, J. A. J. Chem. Phys. 1956, 24, 1111.
19. Platt, J. R. J. Chem. Phys. 1949, 17, 484-495.
20. This situation resembles the old token system used on single-track sections of a railroad to ensure that only one train can enter the section at a time. At the beginning of the section, the locomotive engineer receives a token that permits the train to travel to the other end, where the token is left for the next train in the opposite direction. Although the significant movement is that of the train, it can be monitored (aliased) by the corresponding movement of the token.
21. Brougham, D. F.; Caciuffo, R.; Horsewill, A. J. Nature 1999, 397, 241-243.
22. Milner-White, E. J. Protein Sci. 1997, 6, 2477-2481.
23. Dannenberg, I. J.; Haskamp, L.; Masunov, Artem J. Phys. Chem. A 1999, 103, 7083-7086.