Solvation structures of the 18-crown-6 in carbon tetrachloride as studied by Monte-Carlo simulation based on ab initio potential models

Chemical Physics

Volumn 324, Issue 2-3, 2006, Pages 447-454

  Krongsuk, Sriprajak ^a   Kerdcharoen, Teerakiat ^a   Kiselev, Michael ^b   Hannongbua, Supot ^c  

^a Mahidol University   (Thailand)

^b INSTITUTE OF SOLUTION CHEMISTRY   (Russian Federation)

^c CHULALONGKORN UNIVERSITY   (Thailand)

Author keywords

18 Crown 6; Ab initio potential; Carbon tetrachloride; Simulation; Solvation

Indexed keywords

EID: 33646878522     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2005.11.016     Document Type: Article

References (54)

1. Kahtani A.A. Spectrochim. Acta, Part. A 58 (2002) 2877
2. Wipff G., Schurhammer R., and Vayssière P. J. Phys. Chem. A 107 (2003) 11128
3. Wipff G., Weiner P., and Kollman P. J. Am. Chem. Soc. 104 (1982) 3249
4. Glendening E.D., Feller D., and Thompsom M.A. J. Am. Chem. Soc. 116 (1994) 10695
5. Glendening E.D., and Feller D. J. Am. Chem. Soc. 118 (1996) 6032
6. Tossell J.A. J. Phys. Chem. B 105 (2001) 11060
7. Feller D. J. Phys. Chem. A 101 (1997) 2723
8. Bühl M., and Wipff G. J. Am. Chem. Soc. 124 (2002) 4473
9. Jagannadh B., Kunwar A.C., Thangavlu R.P., and Osawa E. J. Phys. Chem. 100 (1996) 14339
10. Bagaturyants A.A., Freidzon A.Y., Alfimov M.V., Baerends E.S., Howard J.A., and Kuzmina L.G. J. Mol. Struct. 588 (2002) 55
11. Yamabe T., Hori K., Akagi K., and Fukui K. Tetrahedron 35 (1978) 1065
12. Bryan S.A., Willis R.R., and Moyer B.A. J. Phys. Chem. 94 (1990) 52302
13. Fukuhara K., Tachikake M., Matsumoto S., and Matsuura H. J. Phys. Chem. 99 (1995) 8617
14. Nickolov Z.S., Ohno K., and Matsuura H. J. Phys. Chem. A 103 (1999) 7544
15. Miyazaki Y., and Matsuura H. Bull. Chem. Soc. Jpn. 61 (1991) 288
16. More M.B., Ray D., and Armentront P.B. J. Am. Chem. Soc. 121 (1999) 417
17. Patil K.J., Pawar R.B., and Gokavi G.S. J. Mol. Liq. 75 (1998) 143
18. Patil K.J., Kirschgen T.M., Holz M., and Zeidler M.D. J. Mol. Liq. 81 (1999) 201
19. Buschmann H.J., Wenz G., Schollmeyer E., and Mutihae L. Inorg. Chem. Commun. 4 (2001) 211
20. Patil K., and Pawar R. J. Phys. Chem. B 103 (1999) 2256
21. Ozutsumi K., Natsuhara M., and Ohtaki H. Bull. Chem. Soc. Jpn. 62 (1989) 2807
22. Glendening E.D., Feller D., and Thompson M.A. J. Am. Chem. Soc. 116 (1994) 10657
23. Balzani V., Credi A., and Venturi M. Coord. Chem. Rev. 171 (1998) 3
24. Gromov S.P., and Alfimov M.V. Russ. Chem. Bull. 46 (1997) 611
25. Takeshita M., Soong C.F., and Irie M. Tetrahedron Lett. 39 (1998) 7717
26. Kawai S.H. Tetrahedron Lett. 39 (1998) 4445
27. Schulz W.W., and Bray L.A. Separ. Sci. Technol. 22 (1987) 191
28. Wipff G., and Troxler L. Anal. Sci. 14 (1998) 43
29. Yuan Y., and Shao Y. J. Phys. Chem. B 106 (2002) 7809
30. Kim H.S. J. Phys. Chem. B 106 (2002) 11579
31. Kim H.S. Chem. Phys. 287 (2003) 253
32. Kim H.S. Chem. Phys. Lett. 346 (2001) 135
33. Ranghino G., Romano S., Lehn J.M., and Wipff G. J. Am. Chem. Soc. 107 (1985) 7873
34. Ha Y.L., and Chakraborty A.K. J. Phys. Chem. 95 (1991) 10781
35. Ha Y.L., and Chakraborty A.K. J. Phys. Chem. 98 (1994) 11193
36. Kowall T., and Geiger A. J. Phys. Chem. 98 (1994) 6216
37. Thompson M.A. J. Phys. Chem. 99 (1995) 4794
38. Krongsuk S., Kerdcheroen T., and Hannongbua S. J. Phys. Chem. B 107 (2003) 4175
39. Patil K., Pawar R., and Dagade D. J. Phys. Chem. A 106 (2002) 9606
40. Patil K.J., Pawar R.B., and Patil P.D. J. Mol. Liq. 84 (2000) 223
41. Dunitz D.J., Dobler M., Seiler P., and Phizackerley R.P. Acta Crystallogr., Sect. B 30 (1974) 2733
42. Bartell L.S., Brockway L.O., and Schwendeman R.H. J. Chem. Phys. 23 (1955) 1854
43. Frisch M.J., Trucks G.W., Head-Gordon M., Gill P.M.W., Wong M.W., Foresman J.B., Johnson B.G., Schlegel H.B., Robb M.A., Replogle E.S., Gomperts R., Andres J.L., Raghavachari K., Binkley J.S., Gonzalez C., Martin R.L., Fox D.J., Defrees D.J., Baker J., Stewart J.J.P., and Pople J.A. Gaussian 98, Revision A (1998), Gaussian Inc., Pittsburgh, PA
44. Boys S.F., and Bernardi F. Mol. Phys. 19 (1970) 553
45. Mulliken R.S. J. Chem. Phys. 23 (1955) 1833
46. Dagade D., Pawar R., and Patil K. J. Chem. Eng. Data 49 (2003) 341
47. Soetens J.C., Jansen G., and Millot C. Mol. Phys. 96 (1999) 1003
48. Chang T.M., Peterson K.A., and Dang L.X. J. Chem. Phys. 103 (1995) 7502
49. Narten A.H. J. Chem. Phys. 65 (1976) 573
50. Lowden L.J., and Chandler D. J. Chem. Phys. 61 (1974) 5228
51. Metzger T.G., Ferguson D.M., and Glauser W.A. J. Comp. Chem. 18 (1997) 70
52. Patil K.J., and Dagade D.H. J. Chem. Thermodyn. 36 (2004) 667
53. Vayssière P., Chaumont A., and Wipff G. Phys. Chem. Chem. Phys. 7 (2005) 124
54. Majer V., Svab L., and Svibida V. J. Chem. Thermodyn. 12 (1980) 843