Experimental and computational study of HXeY⋯HX complexes (X, Y = Cl and Br): An example of exceptionally large complexation effect

Journal of Physical Chemistry A

Volumn 112, Issue 24, 2008, Pages 5486-5494

  Lignell, Antti ^a   Lundell, Jan ^b   Khriachtchev, Leonid ^a   Räsänen, Markku ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

^b UNIVERSITY OF JYVÄSKYLÄ   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; EXPERIMENTS; HYDROGEN; MONOMERS; XENON; YTTRIUM ALLOYS;

BLUE-SHIFTS; COMPUTATIONAL STUDIES; HYDROGEN HALIDES; STRETCHING ABSORPTION; VIBRATIONAL MODE;

CHLORINE COMPOUNDS;

EID: 52949119987     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp801363u     Document Type: Article

References (42)

1. Pimentel, G. C.; McLellan, A. L. The Hydrogen Bond; W. H. Freeman and Co.: San Francisco, 1960.
2. Badger, R. M.; Bauer, S. H. J. Chem. Phys. 1937, 5, 839.
3. Hobza, P.; Havlas, Z. Chem. Rev. 2000, 100, 4253.
4. Barnes, A. J. J. Mol. Struct. 2004, 704, 3.
5. Kryachko, E. S. in Hydrogen Bonding - New Insights; Grabowski, S. J., Ed.; Springer: Dordrecht, The Netherlands, 2006; Chapter 8.
6. Joseph, J.; Jemmis, E. D. J. Am. Chem. Soc. 2007, 129, 4620, and references therein.
7. Pettersson, M.; Lundell, J.; Räsänen, M. J. Chem. Phys. 1995, 102, 6423.
8. Pettersson, M; Khriachtchev, L.; Lundell, J.; Räsänen, M. In Inorganic Chemistry in Focus II; Meyer, G., Naumann, D., Wesemann, L., Eds.; Wiley-VCH: Weinheim, 2005; pp 15-34.
9. Lignell, A; Khriachtchev, L.; Pettersson, M.; Räsänen, M. J. Chem. Phys. 2002, 117, 961.
10. Lignell, A; Khriachtchev, L.; Pettersson, M.; Räsänen, M. J. Chem. Phys. 2003, 118, 11120.
11. Tanskanen, H.; Johansson, S.; Lignell, A; Khriachtchev, L.; Räsänen, M. J. Chem. Phys. 2007, 127, 154313.
12. Nemukhin, A. V.; Grigorenko, B. L.; Khriachtchev, L.; Tanskanen, H.; Pettersson, M; Räsänen, M. J. Am. Chem. Soc. 2002, 124, 10706.
13. Lignell, A; Khriachtchev, L.; Pettersson, M.; Räsänen, M. Chem. Phys. Lett. 2004, 390, 256.
14. Lundell, J.; Berski, S.; Lignell, A.; Latajka, Z. J. Mol. Struct. 2006, 790, 31.
15. McDowell, S. A. C. Chem. Phys. 2006, 328, 69.
16. McDowell, S. A. C. J. Chem. Phys. 2005, 122, 204309.
17. McDowell, S. A. C. Chem. Phys. Lett. 2005, 406, 228.
18. McDowell, S. A. C. Chem. Phys. Lett. 2003, 377, 143.
19. Yen, S.-Y.; Mou, G-H.; Hu, W.-P. Chem. Phys. Lett. 2004, 383, 606.
20. Mann, D. E.; Acquista, N.; White, D. J. Chem. Phys. 1966, 44, 3453.
21. Bowers, M. T.; Flygare, W. H. J. Chem. Phys. 1966, 44, 1389.
22. Hallam, H. E. In Vibrational Spectroscopy of Trapped Species, Hallam, H. E., Ed.; John Wiley & Sons: Bristol, U.K., 1973; Chapter 3.
23. Lorenz, M.; Kraus, D.; Räsänen, M.; Bondybey, V. E. J. Chem. Phys. 2000, 112, 3803.
24. Khriachtchev, L.; Pettersson, M.; Räsänen, M. Chem. Phys. Lett. 1998, 288, 727.
25. Eberlein, J.; Creutzburg, M. J. Chem. Phys. 1997, 106, 2188.
26. Khriachtchev, L.; Tanskanen, H.; Pettersson, M.; Räsänen, M.; Feldman, V.; Sukhov, F.; Orlov, A.; Shestakov, A. F. J. Chem. Phys. 2002, 116, 5708.
27. Pettersson, M.; Lundell, J.; Räsänen, M. J. Chem. Phys. 1995, 103, 205.
28. Khriachtchev, L.; Lignell, A.; Juselius, J.; Räsänen, M.; Savchenko, E. J. Chem. Phys. 2005, 122, 014510.
29. Liu, K.; Kolesov, A.; Partin, J. W.; Bezel, I.; Wittig, C. Chem. Phys. Lett. 1999, 299, 374.
30. Latajka, Z.; Scheiner, S. Chem. Phys. 1997, 216, 37.
31. LaJohn, L. A.; Christiansen, P. A.; Ross, R. B.; Atashroo, T.; Ermler, W. C. J. Chem. Phys. 1987, 87, 2812.
32. Pettersson, M.; Lundell, J.; Räsänen, M. Eur. J. Inorg. Chem. 1999, 729.
33. Lundell, J.; Chaban, G. M.; Gerber, R. B. J.Phys. Chem. A 2000, 104, 7944.
34. Peterson, K. A.; Figgen, D.; Goll, E.; Stoll, H.; Dolg, M. J. Chem. Phys. 2003, 119, 11113.
35. Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/02/06, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, U.S.A., and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact Karen Schuchardt for further information.
36. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
37. Frisch, M. J.; Tracks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski. J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacorobe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
38. Ahokas, J.; Kunttu, H.; Khriachtchev, L.; Pettersson, M.; Räsänen, M. J. Phys. Chem. A 2002, 106, 7743.
39. Tanskanen, H.; Khriachtchev, L.; Lundell, J.; Räsänen, M. J. Chem. Phys. 2006, 125, 074501.
40. Bochenkova, A. V.; Firsov, D. A.; Nemukhin, A. V. Chem. Phys. Lett. 2005, 405, 165.
41. Jolkkonen, S.; Pettersson, M.; Lundell, J. J. Chem. Phys. 2003, 119, 7356.
42. Bihary, Z.; Chaban, G. M.; Gerber, R. B. J. Chem. Phys. 2002, 116, 5521.