Relationships between interaction energy, intermolecular distance and electron density properties in hydrogen bonded complexes under external electric fields

Chemical Physics Letters

Volumn 507, Issue 1-3, 2011, Pages 185-189

  Mata, I ^a   Alkorta, I ^b   Espinosa, E ^c   Molins, E ^a  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b INSTITUTO DE QUÍMICA MÉDICA   (Spain)

^c Nancy University CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM COMPOUNDS; CARRIER CONCENTRATION; CHLORINE COMPOUNDS; ELECTRIC FIELDS; ELECTRON DENSITY MEASUREMENT; HYDROGEN BONDS; LITHIUM COMPOUNDS;

BOND CRITICAL POINTS; BONDING DISTANCES; EXPERIMENTAL ELECTRON DENSITY; EXTERNAL ELECTRIC FIELD; HYDROGEN BOND INTERACTION; HYDROGEN-BONDED COMPLEXES; INTERACTION ENERGIES; INTERMOLECULAR DISTANCE;

COMPLEXATION;

EID: 79955465793     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.03.055     Document Type: Article

References (38)

1. R.F.W. Bader Atoms in Molecules - A Quantum Theory 1990 Clarendon Press
2. R.J. Boyd, and S.C. Choi Chem. Phys. Lett. 120 1985 80
3. R.J. Boyd, and S.C. Choi Chem. Phys. Lett. 129 1986 62
4. R. Parthasarathi, V. Subramanian, and N. Sathyamurthy J. Phys. Chem. A 110 2006 3349
5. E. Espinosa, E. Molins, and C. Lecomte Chem. Phys. Lett. 285 1998 170
6. B. Dittrich, M. Weber, R. Kalinowski, S. Grabowsky, C.B. Hübschle, and P. Luger Acta Crystallogr. B 65 2009 749
7. A.O. Borissova, A.A. Korlyukov, M.Y. Antipin, and K.A. Lyssenko J. Phys. Chem. A 112 2008 11519
8. M. Vener, A. Egorova, and V. Tsirelson Chem. Phys. Lett. 500 2010 272
9. E. Espinosa, I. Alkorta, J. Elguero, and E. Molins J. Chem. Phys. 117 2002 5529
10. E. Espinosa, I. Alkorta, I. Mata, and E. Molins J. Phys. Chem. A 109 2005 6532
11. I. Mata, E. Molins, I. Alkorta, and E. Espinosa J. Chem. Phys. 130 2009 044104
12. M. Ramos, I. Alkorta, J. Elguero, N. Golubev, G. Denisov, H. Benedict, and H.-H. Limbach J. Phys. Chem. A 101 1997 9791
13. I. Rozas, I. Alkorta, and J. Elguero Chem. Phys. Lett. 275 1997 423
14. I. Mata, I. Alkorta, E. Molins, and E. Espinosa Chem. Eur. J. 16 2010 2442
15. C. Møller, and M.S. Plesset Phys. Rev. 46 1934 618
16. M.J. Frisch, J.A. Pople, and J.S. Binkley J. Chem. Phys. 80 1984 3265
17. M.J. Frisch et al., gaussian 03, Revision E.01, Gaussian Inc., Wallingford, CT, 2004.
18. F. Biegler-König, R. Bader, and T.-H. Tang J. Comput. Chem. 3 1982 317
19. P.L.A. Popelier, morphy98, A Topological Analysis Program, 0.2, UMIST, Manchester, England, 1999.
20. M. Rafat, and P.L.A. Popelier J. Comp. Chem. 28 16 2007 2602 10.1002/jcc.20767
21. R. Kahn, E.C.D. Lara, and K.D. Moller J. Chem. Phys. 83 1985 2653
22. M.A. Spackman, P. Munshi, and D. Jayatilaka Chem. Phys. Lett. 443 2007 87
23. S.R. Kass J. Am. Chem. Soc. 127 38 2005 13098
24. A. Martín-Pendás, M.A. Blanco, and E. Francisco J. Chem. Phys. 125 2006 184112
25. M.T. Carroll, and R.F.W. Bader Mol. Phys. 65 1988 695
26. J. Hernandez-Trujillo, and R.F.W. Bader J. Phys. Chem. A 104 2000 1779
27. R.G.A. Bone, and R.F.W. Bader J. Phys. Chem. 100 1996 10892
28. G.R. Desiraju Acc. Chem. Res. 35 2002 565
29. E. Cubero, M. Orozco, P. Hobza, and F. Luque J. Phys. Chem. A 103 1999 6394
30. E. Espinosa, M. Souhassou, H. Lachekar, and C. Lecomte Acta Crystallogr. B 55 1999 563
31. E. Espinosa, C. Lecomte, and E. Molins Chem. Phys. Lett. 300 1999 745
32. Y.A. Abramov Acta Crystallogr. A 53 1997 264
33. E. Espinosa, I. Alkorta, I. Rozas, J. Elguero, and E. Molins Chem. Phys. Lett. 336 2001 457
34. I. Mata, E. Molins, I. Alkorta, and E. Espinosa J. Phys. Chem. A 111 2007 6425
35. E. D'Oria, and J.J. Novoa CrystEngComm 6 2004 367
36. M.A. Spackman Chem. Phys. Lett. 301 1999 425
37. I.S. Bushmarinov, V.P. Morgaliuk, A.A. Korlyukov, M. Antipin, E.E. Nifant'ev, and K.A. Lyssenko CrystEngComm 12 2010 186
38. I. Mata Acta Crystallogr. A 62 2006 365