Properties of the experimental crystal charge density of methylammonium hydrogen maleate. A salt with a very short intramolecular O-H-O hydrogen bond

Journal of Physical Chemistry A

Volumn 102, Issue 12, 1998, Pages 2177-2188

  Madsen, Dennis ^a,b   Flensburg, Claus ^a   Larsen, Sine ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001386474     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972419q     Document Type: Article

References (38)

1. Bader, R. F. W. Atoms in Molecules - A Quantum Theory; Oxford University Press: Oxford, 1994.
2. Stewart, R. F. In The Application of Charge Density Research to Chemistry and Drug Design; Jeffrey, G., Piniella, J., Eds.; Plenum Press: New York, 1991; p 63.
3. Flensburg, C.; Larsen, S.; Stewart, R. F. J. Phys. Chem. 1995, 99, 10130.
4. Roversi, P.; Barzahgi, M.; Merati, F.; Destro, R. Can. J. Chem. 1996, 74, 1145.
5. Koritsanszky, T.; Buschmann, J.; Luger, P. J. Phys. Chem. 1996, 100, 10547.
6. Howard, S. T.; Hursthouse, M. B.; Lehmann, C. W.; Poyner, E. A. Acta Crystallogr. 1995, B51, 328.
7. Tuckerman, M. E.; Marx, D.; Klein, M. L.; Parrinello, M. Science 1997, 275, 817.
8. Gilli, P.; Bertolasi, V.; Ferretti, V.; Gilli, G. J. Am. Chem. Soc. 1994, 116, 909.
9. Speakman, J. C. Struct. Bonding (Berlin) 1972, 12, 141.
10. Madsen, D.; Larsen, S. Acta Crystallogr. C, in press.
11. Johnson, C. K. Report ORNL5138; Oak Ridge National Laboratory, TN, 1976.
12. Frazer, B. C.; Pepinsky, R. Acta Crystallogr. 1953, 6, 273.
13. Sheldrick, G. M. Program for the Refinement of Crystal Structures; University of Göttingen, Germany, 1993.
14. Blessing, R. H. Cryst. Res. 1987, 1, 3.
15. Stewart, R. F.; Spackman, M. A.; Flensburg, C. VALRAY Reference Manual β -version; April 1996.
16. Hamilton, W. C. Acta Crystallogr. 1965, A18, 502.
17. Koster, L.; Rauch, H.; Herkens, M.; Scröder, K. Summary of Neutron Scattering Lengths; KFA: Jülich, Germany, 1981.
18. Becker, P. J.; Coppens, P. Acta Crystallogr. 1974, A30, 129.
19. Stewart, R. F. J. Chem. Phys. 1969, 51, 4569.
20. Stewart, R. F. Acta Crystallogr. 1976, A32, 565.
21. van der Wal, R. J.; Stewart, R. F. Acta Crystallogr. 1984, A40, 587.
22. Clementi, E.; Roetti, C. Atomic Data Nucl. Data Tables; 1974, Vol. 14.
23. Hehre, W. J.; Ditchfield, R.; Stewart, R. F.; Pople, J. A. J. Chem. Phys. 1970, 52, 2769.
24. Blessing, R. H. Acta Crystallogr. 1995, A51, 33.
25. Hsu, B.; Schlemper, E. O. Acta Crystallogr. 1980, B36, 3017.
26. Koritsansky, T.; Howard, S. T.; Mallinson, R. P.; Su, Z.; Richter, T.; Hansen, N. K. XD, A Computer Program Package for Multipole Refinement and Analysis of Charge Densities from X-ray Diffraction Data; Free University Berlin, 1995.
27. Flensburg, C.; Madsen, D. Acta Crystallogr. A., to be submitted.
28. Collard, K.; Hall, G. G. Int. J. Quantum Chem. 1977, 12, 623.
29. Boyd, R. J.; Choi, S. C. Chem. Phys. Lett. 1986, 129, 62.
30. Carroll, M. T.; Bader, R. F. W. Mol. Phys. 1988, 65, 695.
31. Bader, R. F. W.; Slee, T. S.; Cremer, D.; Kraka, E. J. Am. Chem. Soc. 1983, 105, 5061.
32. Gatti, C.; Saunders, V. R.; Roetti, C. J. Chem. Phys. 1994, 101, 10686.
33. Bader, R. F. W.; Chang, C. J. Phys. Chem. 1989, 93, 2946.
34. Bader, R. F. W.; Chang, C. J. Phys. Chem. 1989, 93, 5095.
35. Stewart, R. F. God. Jugosl. Cent. Kristalogr. 1982, 17, 1.
36. Pichon-Pesme, V.; Lecornte, C.; Lachekar, H. J. Phys. Chem. 1995, 99, 6642.
37. Espinosa, E.; Lecornte, C.; Molins, E.; Veintemillas, S.; Coussin, A.; Paulus, W. Acta Crystallogr. 1996, B52, 519.
38. Meister, J.; Schwarz, W. H. E. J. Phys. Chem. 1994, 98, 8245.