A cryosolution infrared and ab initio study of the van der Waals complexes of cyclopentene with hydrogen chloride and boron trifluoride

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 61, Issue 7, 2005, Pages 1431-1444

  Herrebout, W A ^a   Gatin, A ^a   Everaert, G P ^a   Fishman, A I ^a   Van Der Veken, B J ^a  

^a UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

Boron trifluoride; Cryosolutions; Hydrogen chloride; Infrared spectroscopy; Van der Waals molecules

Indexed keywords

BORON COMPOUNDS; COMPLEXATION; COMPUTER SIMULATION; ENTHALPY; HYDROGEN INORGANIC COMPOUNDS; INFRARED SPECTROSCOPY; MOLECULAR VIBRATIONS; MONTE CARLO METHODS; POTENTIAL ENERGY; THERMODYNAMICS; VAN DER WAALS FORCES;

BORON TRIFLUORIDE; CRYOSOLUTIONS; HYDROGEN CHLORIDE; VAN DER WAALS MOLECULES;

HYDROCARBONS;

ARGON; BORANE DERIVATIVE; BORON TRIFLUORIDE; CYCLOPENTANE DERIVATIVE; HYDROCHLORIC ACID;

ARTICLE; CHEMISTRY; COLD; CONFORMATION; HEAT; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; MONTE CARLO METHOD; SPECTROPHOTOMETRY; TEMPERATURE; THERMODYNAMICS;

ARGON; BORANES; COLD; CYCLOPENTANES; HEAT; HYDROCHLORIC ACID; MOLECULAR CONFORMATION; MONTE CARLO METHOD; SPECTROPHOTOMETRY; SPECTROPHOTOMETRY, INFRARED; TEMPERATURE; THERMODYNAMICS;

EID: 16244411936     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2004.10.051     Document Type: Article

References (52)

1. A.J. Barnes, H.E. Hallam, and T.F.S. Scrimshaw Trans. Faraday Soc. 65 1969 3172
2. A.J. Barnes, J.B. Davies, H.E. Hallam, and J.D.R. Howells J. Chem. Soc. Faraday Trans. II 69 1973 246
3. K.S. Kim, P. Tarakeshwar, and J.Y. Lee Chem. Phys. 100 2000 4145
4. P. Tarakeshwar, and K.S. Kim J. Mol. Struct. 615 2002 227
5. G.P. Everaert, W.A. Herrebout, B.J. van der Veken, J. Lundell, and M. Räsänen Chem. Eur. J. 4 1998 321
6. G.P. Everaert, W.A. Herrebout, and B.J. van der Veken Phys. Chem. Chem. Phys. 1 1999 231
7. G.P. Everaert, W.A. Herrebout, and B.J. van der Veken J. Mol. Struct. 550 2000 399
8. G.P. Everaert, W.A. Herrebout, and B.J. van der Veken J. Phys. Chem. A 105 2001 9058
9. W.A. Herrebout, G.P. Everaert, B.J. van der Veken, and M.O. Bulanin J. Chem. Phys. 107 1997 8886
10. W.A. Herrebout, and B.J. van der Veken J. Am. Chem. Soc. 119 1997 10446
11. W.A. Herrebout, J. Lundell, and B.J. van der Veken J. Phys. Chem. A 102 1998 10173
12. W.A. Herrebout, and B.J. van der Veken J. Mol. Struct. 449 1998 231
13. W.A. Herrebout, J. Lundell, and B.J. van der Veken J. Phys. Chem. A 103 1999 7639
14. W.A. Herrebout, and B.J. van der Veken Phys. Chem. Chem. Phys. 1 1999 3445
15. W.A. Herrebout, J. Lundell, and B.J. van der Veken J. Mol. Struct. 481 1999 489
16. W.A. Herrebout, T. van den Kerkhof, and B.J. van der Veken J. Mol. Struct. 481 1999 495
17. W.A. Herrebout, T. Van den Kerkhof, and B.J. van der Veken Phys. Chem. Chem. Phys. 2 2000 4925
18. W.A. Herrebout, R. Szostak, and B.J. van der Veken J. Phys. Chem. A 104 2000 8480
19. W.A. Herrebout, and B.J. van der Veken J. Mol. Struct. 550 2000 389
20. W.A. Herrebout, and B.J. van der Veken J. Mol. Struct. 642 2002 1
21. R. Szostak, W.A. Herrebout, and B.J. van der Veken Phys. Chem. Chem. Phys. 2 2000 3983
22. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A.J. Montgomery, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A.A. 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, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople Gaussian03 2003 Gaussian, Inc. Pittsburgh, PA
23. S. Simon, M. Duran, and J.J. Dannenberg J. Chem. Phys. 105 1996 11024
24. W.L. Jorgensen BOSS, version 4. 1 1999 Yale University New Haven, CT
25. W. Vanspeybrouck, W.A. Herrebout, B.J. van der Veken, J. Lundell, and R.N. Perutz J. Phys. Chem. B 107 2003 13855
26. W.L. Jorgensen, N.A. McDonald, M. Selmi, and P.R. Rablen J. Am. Chem. Soc. 117 1995 11809
27. W.D. Allen, A.G. Csaszar, and D.A. Horner J. Am. Chem. Soc. 114 1992 6834
28. R. Champion, P.D. Godfrey, and F.L. Bettens J. Mol. Spectrsc. 147 1991 488
29. S.A.C. McDowell, M.G. Trefry, and A.D. Buckingham Mol. Phys. 81 1994 1225
30. E.J. Sluyts, and B.J. van der Veken J. Am. Chem. Soc. 118 1996 440
31. B.J. van der Veken, and F.R. Demunck J. Chem. Phys. 97 1992 3060
32. W.A. Herrebout, J. Van Gils, and B.J. van der Veken J. Mol. Struct. 563 2001 249
33. D.F. Bocian, G.A. Schick, and R.R. Birge J. Chem. Phys. 75 1981 3215
34. D. Cavagnat, M.P. Roberts, R.M. Cavagnat, and S. Vahediebanisaeid J. Phys. Chem. 95 1991 134
35. D. Cavagnat, S. Banisaeidvahedie, L. Lespade, and S. Rodin J. Chem. Soc. Faraday Trans. 88 1992 1845
36. J.R. Durig, and L.A. Carreira J. Chem. Phys. 56 1972 4966
37. J. Haines, and D.F.R. Gilson J. Phys. Chem. 93 1989 20
38. W.C. Harris, and C.T. Longshore J. Mol. Struct. 16 1973 187
39. J. Laane, and R.C. Lord J. Chem. Phys. 47 1967 4941
40. C. Lapouge, D. Cavagnat, D. Gorse, and M. Pesquer J. Phys. Chem. 99 1995 2996
41. M.K. Leong, V.S. Mastryukov, and J.E. Boggs J. Mol. Struct. 445 1998 149
42. S. Rodinbercion, D. Cavagnat, L. Lespade, and P. Maraval J. Phys. Chem. 99 1995 3005
43. S. Saebo, F.R. Cordell, and J.E. Boggs J. Mol. Struct. (Theochem.) 13 1983 221
44. L.E. Bauman, P.M. Killough, J.M. Cooke, J.R. Villarreal, and J. Laane J. Phys. Chem. 86 1982 2000
45. M. Besnard, J.C. Lassegues, Y. Guissani, and J.C. Leicknam Mol. Phys. 53 1984 1145
46. V.V. Bertsev, N.S. Golubev, and D.N. Shchepkin Optik. Spektrosk. 40 1976 951
47. B.J. van der Veken J. Phys. Chem. 100 1996 17436
48. G.P. Everaert, W.A. Herrebout, and B.J. van der Veken Spectrochim. Acta A 2005 this volume
49. A. Lesarri, S. Blanco, J.C. Lopez, and J.L. Alonso J. Chem. Phys. 116 2002 4116
50. V. Barone J. Chem. Phys. 120 2004 3059
51. P. Carbonniere, and V. Barone Chem. Phys. Lett. 392 2004 365
52. R.G. Steinhardt, G.E.S. Fetsch, and M.W. Jordan J. Chem. Phys. 43 1965 4528