FTIR and ab initio investigations of the MTBE-water complex

Journal of Physical Chemistry A

Volumn 112, Issue 37, 2008, Pages 8593-8599

  Li, Zhuangjie ^a   Singh, Sumitpal ^a  

^a CALIFORNIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; CHLORINE COMPOUNDS; ETHERS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; INFRARED SPECTROSCOPY; ORGANIC COMPOUNDS; WATER ABSORPTION;

AB INITIO CALCULATIONS; AB-INITIO; FTIR ABSORPTION; FTIR-ATR SPECTROSCOPY; INFRARED SPECTRUM; IR SPECTRUM; LIQUID WATER; METHYL TERT-BUTYL ETHER; VIBRATIONAL FREQUENCIES;

ABSORPTION SPECTROSCOPY;

EID: 53049099598     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp804246b     Document Type: Article

References (32)

1. Jeffrey, G. A. An Introduction to Hydrogen Bonding; Oxford University Press, Inc.: New York, 1997.
2. Rablen, P. R.; Lockman, J. W.; Jorgensen, W. L. J. Phys. Chem. A 1998, 102, 3782-3797.
3. Li, Y.; Liu, X.-H.; Wang, X. Y.; Lou, N.-Q. J. Phys. Chem. A 1999, 103, 2572-2579.
4. Nickolov, Z. S.; Ohno, K.; Matsuura, H. J. Phys. Chem. A 1999, 103, 7544-7551.
5. Fredericks, S. Y.; Jordan, K. D. J. Phys. Chem. 1996, 100, 7810-7821.
6. Bryan, S. A.; Willis, R. R.; Moyer, B. A. J. Phys. Chem. 1990, 94, 5230-5233.
7. He, Y.; Wu, C.; Kon, W. J. Phys. Chem. A 2005, 109, 748-753.
8. Wang, L. J. Phys. Chem. A 2007, 111, 3642-3651.
9. Han, J.; Deming, R. L.; Tao, F.-M. J. Phys. Chem. A 2005, 109, 1159-1167.
10. Miyazaki, M.; Fujii, A.; Ebata, T.; Mikami, N. J. Phys. Chem. A 2004, 108, 10656-10660.
11. Iwamoto, R.; Matsuda, T.; Sasaki, T. J. Phys. Chem. B 2003, 107, 7976-7980.
12. Conrad, M. P.; Strauss, H. L. J. Phys. Chem. 1987, 91, 1668-1673.
13. Garrett, A. W.; Zwier, T. S.; Severance, D. L. J. Phys. Chem. 1992, 96, 9710-9718.
14. Suzuki, S.; Green, P. G.; Bumgarner, R. E.; Dasgupta, S.; Oddard, W. A.; Blake, G. A. Science 1992, 257, 942-945.
15. Tanabe, S.; Ebata, T.; Fujii, M.; Mikami, N. Chem. Phys. Lett. 1993, 215, 347-352.
16. Besnard, M.; Danten, Y.; Tassaing, T. J. Chem. Phys. 2000, 113, 3741-3748.
17. Allen, H. C.; Raymond, E. A.; Richmond, G. L. J. Phys. Chem. A 2001, 105, 1649-1655.
18. Givan, A.; Loewenschussa, A.; Nielsen, C. J. J. Mol. Struct. 2005, 748, 77-90.
19. Harris, D. C. Quantitative Chemical Analysis, 7th ed.; W. H. Freeman: New York, 2007.
20. Roy, G.; Mielczarski, J. A. Water Res. 2002, 36, 1902-1908.
21. Murphy, B.; McLoughlin, P. Int. J. Environ. Anal. Chem. 2003, 83, 653-662.
22. Karlowatz, M.; Kraft, M.; Mizaikoff, B. Anal. Chem. 2004, 76, 2643-2648.
23. Regan, F.; Meaney, M.; Vos, J. G.; MacCraith, B. D.; Walsh, J. E. Anal. Chim. Acta 1996, 334, 85-92.
24. Colume, A.; Diewok, J.; Lendl, B. Int. J. Environ. Anal. Chem. 2004, 84, 835-844.
25. Jelev, A.; Ciobanu, M. F.; Frunza, L. Chem. Pap. 1999, 53, 98-101.
26. Lide, D. R. Handbook of Chemistry and Physics, 87th ed.; CRC Press: Boca Raton, FL, 2006-2007.
27. Squillace, P. J.; Zogorski, J. S.; Wilber, W. G.; Price, C. V. Environ. Sci. Technol. 1996, 30, 1721.
28. Michalkova, A.; Johnson, L. D.; Gorb, L.; Zhikol, O. A.; Shishkin, O. V.; Leszczynski, J. Int. J. Quantum Chem. 2005, 105, 325.
29. CCL 1 List and Regulatory Determinations; U.S. Environmental Agency: Washington, DC, 1998.
30. 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.; 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.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03; Gaussian, Inc.: Wallingford, CT, 2004.
31. Miertuš, S.; Scrocco, E.; Tomasi, J. Chem. Phys. 1981, 55, 117-129.
32. Johnson, B. G.; Gill, P. M. W.; Pople, J. A. J. Chem. Phys. 1993, 98, 5612-5626.