Electronic properties of the halogen bonds Z 3CX···Y - between halide anions and methyl halides

Structural Chemistry

Volumn 23, Issue 3, 2012, Pages 627-636

  Zhang, Ying ^a   Li, An Yong ^a   Cao, Li Juan ^a  

^a SOUTHWEST UNIVERSITY   (China)

Author keywords

Blue shifted; Halogen bond; Intra and intermolecular hyperconjugations

Indexed keywords

EID: 84861738840     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-011-9904-y     Document Type: Article

References (39)

1. Geffrey GA (1995) Hydrogen bonding in biological structures. Springer, Berlin
2. Lehn JM (1995) Supramolecular chemistry: concepts and perspectives. VCH, Weinheim
3. Desiraju GR (1989) Crystal engineering: the design of organic solids. Elsevier, Amsterdam
4. Zou JW, Jiang YJ, Guo M (2005) Chem Eur J 11:740
5. Desiraju GR, Steiner T (1997) The weak hydrogen bond in structural chemistry and biology. Oxford University Press, New York
6. Lommerse JPM, Stone AJ, Taylor R, Allen FH (1996) J Am Chem Soc 118:3108
7. Metrangolo P, Resnati G (2001) Chem Eur J 7:2511
8. Forni A, Metrangolo P, Pilati T, Resnati G (2004) Cryst Growth Des 4:291
9. Li AY (2006) J Phys Chem A 110:10805
10. Li AY (2007) J Chem Phys 126:154102
11. Wang SW, Li AY, Tan HW (2007) Chem J Chin Univ 28:1962 (in Chinese)
12. Li AY, Wang SW (2007) J Mol Struct (Theochem) 191:807
13. Cao LJ, Li AY, Ji HB, Xu L, Zhang Y (2010) J Mol Struct (Theochem) 959:80
14. Li AY, Ji HB, Cao LJ (2009) J Chem Phys 131:164305
15. Scheiner S (1997) Hydrogen bonding. Oxford University Press, New York
16. Jeffrey GA (1997) An introduction to hydrogen bonding. Oxford University Press, New York
17. Price SL, Stone AJ, Lucas J, Rowland RS, Thomley AE (1994) J Am Chem Soc 116:4910
18. Dumas JM, Gomel M, Guerin M (1983) Molecular interactions involving organic halides. Wiley, New York
19. Metrangolo P, Meyer F, Pilati T, Proserpio DM, Resnati G (2007) Chem Eur J 13:5765
20. Aakeröy CB, Fasulo M, Schultheiss N, Desper J, Moore C (2007) J Am Chem Soc 129:13772
21. Takeuchi T, Minato YJ, Takase M, Shinmori H (2005) Tetrahedron Lett 46:9025
22. Nguyen HL, Horton PN, Hursthouse MB, Legon AC, Bruce DW (2004) J Am Chem Soc 126:16
23. Grabowski SJ, Sadlej A, Sokalski J, Leszczynski WA (2006) J Chem Phys 327:151
24. Auffinge P, Hays FA, Westhof E, Ho PS (2004) Proc Natl Acad Sci USA 101:16789
25. Bent HA (1968) Chem Rev 68:587
26. Hassel O (1970) Science 170:497
27. Reed AE, Weinbold F, Curtiss LA, Pochatko DJ (1986) J Chem Phys 84:5687
28. Romaniello P, Lelj F (2002) J Phys Chem A 106:9114
29. Valerio G, Rao SG, Meille SV (2000) J Phys Chem A 104:1617
30. Zou JW, Jiang YJ, Guo M (2005) Chem Eur J 11:740
31. Wang WZ, Wong NB, Zheng WX (2004) J Phys Chem A 108:1799
32. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS J, Tomasi V, Barone B, Mennucci M, Cossi G, Scalmani N, Rega GA, 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 JE, Knox HP, Hratchian JB, Cross C, Adamo J, Jaramillo R, Gomperts RE, Stratmann O, Yazyev AJ, Austin R, Cammi C, Pomelli JW, Ochterski PY, Ayala K, Morokuma GA, Voth P, Salvador JJ, Dannen-berg VG, Zakrzewski S, Dapprich AD, Daniels MC, Strain O, Farkas DK, Malick AD, Rabuck K, Raghavachari JB, Foresman JV, Ortiz Q, Cui AG, Baboul S, Clifford J, Cioslowski BB, Stefanov G, Liu A, Liashenko P, Piskorz I, Komaromi R, Martin L, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2003) GAUSSIAN 03. Gaussian, Inc., Pittsburgh
33. Boys SF, Bernardi F (1970) Mol Phys 19:553
34. Bader RWF (1991) Chem Rev 91:893
35. Reed AE, Curtiss LA, Weinhold F (1988) Chem Rev 88:899
36. Koch U, Popelier PLA (1995) J Phys Chem 99:9747
37. Popelier PLA (1998) J Phys Chem A 102:1873
38. Bader RFW (1990) Atoms in Molecules: a Quantum Theory. Claerndon Press, Oxford
39. Alabugin IV, Manoharan M, Peabody S, Weinhold F (2003) J Am Chem Soc 125:5973