Infrared spectroscopy and quantum chemical calculations of OH-(H 2O)n complexes

Journal of Physical Chemistry A

Volumn 113, Issue 37, 2009, Pages 9945-9951

  Tsuji, Kazuhide ^a   Shibuya, Kazuhiko ^b  

^a GUNMA NATIONAL COLLEGE OF TECHNOLOGY   (Japan)

^b TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BENDING VIBRATIONS; CLUSTER SIZES; COMPLEXES OF OH; CYCLIC STRUCTURES; DARK CONDITIONS; FTIR SPECTROSCOPY; INFRARED SPECTRUM; OH RADICAL; QUANTUM CHEMICAL CALCULATIONS; RECOMBINATION REACTIONS; VACUUM ULTRAVIOLETS; WATER CLUSTER;

FREE RADICALS; HYDROGEN; HYDROGEN BONDS; NEON; PHOTOLYSIS; QUANTUM CHEMISTRY; SPECTROSCOPIC ANALYSIS;

INFRARED SPECTROSCOPY;

HYDROXYL RADICAL; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; HYDROGEN BOND; INFRARED SPECTROSCOPY; QUANTUM THEORY; VIBRATION;

HYDROGEN BONDING; HYDROXYL RADICAL; MODELS, CHEMICAL; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; VIBRATION; WATER;

EID: 70349087004     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp903648z     Document Type: Article

References (28)

1. Hamad, S.; Lago, S.; Mejías, J. A. J. Phys. Chem. A 2002, 706, 9104.
2. Cabral do Couto, P.; Guedes, R. C.; Costa Cabrai, B. J. J. Chem. Phys. 2003, 119, 7344.
3. Roeselová, M.; Vieceli, J.; Dang, L. X.; Garrett, B. C.; Tobias, D. J. J. Am. Chem. Soc. 2004, 126, 16308.
4. Vieceli, J.; Roeselová, M.; Potter, N.; Dang, L. X.; Garrett, B. C.; Tobias, D. J. J. Phys. Chem. B 2005, 109, 15876.
5. Langford, V. S.; McKinley, A. J.; Quickenden, T. I. J. Am. Chem. Soc. 2000, 122, 12859.
6. Cooper, P. D.; Kjaergaard, H. G.; Langford, V. S.; McKinley, A. J.; Quickenden, T. I.; Schofield, D. P. J. Am. Chem. Soc. 2003, 125, 6048.
7. Engdahl, A.; Karlstoröm, G.; Nelander, B. J. Chem. Phys. 2003, 118, 7797.
8. Ohshima, Y.; Sato, K.; Sumiyoshi, Y.; Endo, Y. J. Am. Chem. Soc. 2005, 127, 1108.
9. Tsuge, M.; Tsuji, K.; Kawai, A.; Shibuya, K. J. Phys. Chem. A 2007, 111, 3540.
10. Frisch, M. J.; Trucks, 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.; Kiene, 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.; Challacombe, 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.
11. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
12. Suenaga, M. J. Comput. Chem. Jpn. 2005, 4, 25-32.
13. Suenaga, M. J. Comput. Chem. Jpn. 2008, 7, 33-53.
14. Forney, D.; Jacox, M. E.; Thompson, W. E. J. Mol. Spectrosc. 1993, 157, 479.
15. Bouteiller, Y.; Perchard, J. P. Phys. Chem. 2004, 305, 1.
16. Paul, J. B.; Collier, C. P.; Saykally, R. J.; Scherer, J. J.; O'Keefe, A. J. Phys. Chem. A 1997, 101, 5211.
17. Bentwood, R. M.; Barnes, A. J.; Orville-Thomas, W. J. J. Mol. Spectrosc. 1980, 84, 391.
18. Engdahl, A.; Nelander, B. J. Mol. Struct. 1989, 193, 101.
19. Perchard, J. P. Chem. Phys. 2001, 273, 217.
20. Hirabayashi, S.; Yamada, K. M. T. J. Chem. Phys. 2005, 122, 244501.
21. Eberlein, J.; Creuzburg, M. J. Chem. Phys. 1997, 106, 2188.
22. Vaskonen, K.; Eloranta, J.; Kiljunen, T.; Kunttu, H. J. Chem. Phys. 1999, 110, 2122.
23. Pimentel, G. C.; McClellan, A. L. Methods of Detection: Infrared and Raman Spectroscopy. The Hydrogen Bond; W. H. Freeman and Company: San Francisco, 1960; pp 67-102.
24. Gregory, J. K.; Clary, D. C. J. Phys. Chem. 1996, 100, 18014.
25. Xantheas, S. S.; Burnham, C. J.; Harrison, R. J. J. Chem. Phys. 2002, 116, 1493.
26. Xantheas, S. S.; Dunning, T. H., Jr. J. Chem. Phys. 1993, 99, 8774.
27. Lee, H. M.; Suh, S. B.; Lee, J. Y.; Tarakeshwar, P.; Kim, K. S. J. Chem. Phys. 2000, 112, 9759.
28. Buck, U.; Huisken, F. Chem. Rev. 2000, 100, 3863.