Topological studies of electron density on the π-type halogen-bond between acetylene, ethylene and dihalogen molecules

Acta Physico - Chimica Sinica

Volumn 22, Issue 12, 2006, Pages 1526-1531

  Zhao, Ying ^a,b   Zeng, Yan Li ^a   Zhang, Xue Ying ^a   Zheng, Shi Jun ^a   Meng, Ling Peng ^a  

^a HEBEI NORMAL UNIVERSITY   (China)

^b AGRICULTURAL UNIVERSITY OF HEBEI   (China)

Author keywords

Type halogen bond; Dihalogen molecules; MP2; Topological analysis of electron density

Indexed keywords

EID: 67449141291     PISSN: 18721508     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (17)

1. Bloemink, H. L; Hollway, J. H.; Legón, A. C. Chem. Phys. Lett., 1996, 250: 567
2. Holloway, J. H.; Legon, A. C; Hinds, K. J. Chem. Soc. Faraday Trans.. 1996, 92(8): 1291
3. Shea, J. A.; Flygare, W. H. J. Chem. Phys.. 1982, 76(10): 4857
4. Boys, S. F.; Bernardi, F. Mol. Phys., 1970, 19: 553
5. Bader, R. F. W. A quantum theory. Oxford: Oxford University, 1990
6. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; et al. Gaussian 98, Revision A.3. Pittsburgh, PA: Gaussian, Inc., 1998
7. Zheng, S. J.; Cai, X. H.; Meng, L. P. Quantum Chemistry Program Exchange Bulletin, 1995, 15(2): 25
8. Biegler-Köning, F. J.; Derdau, R.; Bayles, D.; Bader, R. F. W. AIM2000, Versionl, 2000
9. Bloemink, H. L; Hinds, H.; Legon, A. C; Thorn, J. C. Chem. Eur. J., 1995, 1: 17
10. Legon, A. C.; Thumwood, J. M. A. Phys. Chem. Chem. Phys., 2001, 3: 1397
11. Bloemink, H. L; Hinds, K.; Legon, A. C; Thorn, J. C. Angew. Chem., 1994, 106: 1577
12. Bloemink, H. L; Hinds, K.; Legon, A. C; Thorn, J. C. Chem. Phys. Lett., 1994, 223: 162
13. Davey, J. B.; Legon, A. C. Chem. Phys. Lett., 2001, 350: 39
14. Bloemink, H. L; Hinds, K.; Legon, A. C.; Thorn, J. C. J. Chem. Soc. Chem. Commun., 1994: 1229
15. Popelier, P. L. A. J. Phys. Chem. A, 1998, 102: 1873
16. Koch, U.; Popelier, P. L. A. J. Phys. Chem., 1995, 99(24): 9747
17. Rozas, L; Alkorta, L; Elguero, J. J. Phys. Chem. A, 1997, 101: 9457