Detailed analysis of the charge transfer complex N,N-dimethylaniline-SO2 by Raman spectroscopy and density functional theory calculations

Journal of Raman Spectroscopy

Volumn 41, Issue 7, 2010, Pages 771-775

  Ando, Rômulo ^a   Matazo, Deborah R C ^a   Santos, Paulo S ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

Gas absorption; Intermolecular charge transfer; Resonance Raman spectroscopy; Thermochromism

Indexed keywords

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; GAS ABSORPTION; RAMAN SPECTROSCOPY; SPECTROSCOPIC ANALYSIS;

DENSITY-FUNCTIONAL THEORY CALCULATIONS; DIMETHYLANILINES; INTENSE BANDS; INTERMOLECULAR CHARGE TRANSFER; NITROGEN ATOM; RAMAN SPECTROSCOPIC STUDY; RED OIL; RESONANCE RAMAN SPECTROSCOPY; THERMOCHROMISM; VIBRATIONAL MODES;

SULFUR DIOXIDE;

EID: 77954975386     PISSN: 03770486     EISSN: 10974555     Source Type: Journal    
DOI: 10.1002/jrs.2514     Document Type: Article

References (29)

1. M. J. Molina, L. T. Molina, J. AirWaste Manage. Assoc. 2004, 54, 644.
2. C. V. A. Paul, J. Miller, North American Power Plant Air Emissions, Commission for Environmental Cooperation of North America: Montŕ eal, Qúebec, Canada, 2004.
3. D. Vamvuka, C. Arvanitidis, D. Zachariadis, Environ. Eng. Sci. 2004, 21, 525.
4. E. Bekassy-Molnar, E. Marki, J. G. Majeed, Chem. Eng. Process. 2005, 44, 1039.
5. P. Luis, I.Ortiz,R. Aldaco,A. Garea,A. Irabien, Int. J. Chem. React. Eng. 2007, 5, 10.
6. P. Luis, A. Garea, A. Irabien, J. Membr. Sci. 2009, 330, 80.
7. R. A. Ando, L. J. A. Siqueira, F. C. Bazito, R.M. Torresi, P. S. Santos, J. Phys. Chem. B 2007, 111, 8717.
8. L. J. A. Siqueira, R. A. Ando, F. F. C. Bazito, R. M. Torresi, P. S. Santos, M. C. C. Ribeiro, J. Phys. Chem. B 2008, 112, 6430.
9. R. A. Ando, P. S. Santos, Vib. Spectrosc. 2009, 49, 14.
10. A. E. Hill, J. Am. Chem. Soc. 1931, 53, 2598
11. M. W. Wong, K. B. Wiberg, J. Am. Chem. Soc. 1992, 114, 7527.
12. J. Touzin, P. Bauer, Collect. Czech. Chem. Commun. 1981, 46, 2600.
13. W. E. Byrd, Inorg. Chem. 1962, 1, 762.
14. D. L. A. Faria, P. S. Santos, J. Raman Spectrosc. 1988, 19, 471.
15. A. D. Becke, J. Chem. Phys. 1993, 98, 5648.
16. C. T. Lee, W. T. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785.
17. P. J. Stephens, F. J. Devlin, C. F. Chabalowski, M. J. Frisch, J. Phys. Chem. 1994, 98, 11623.
18. B. Liu, A. D. McLean, J. Chem. Phys. 1973, 59, 4557.
19. S. F. Boys, F. Bernardi, Mol. Phys. 1970, 19, 553.
20. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, T. Vreven Jr, 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. 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, J. A. Pople, Gaussian 03, Revision D.01; Gaussian, Inc.: Wallingford CT, 2004.
21. M. P. Andersson, P. Uvdal, J. Phys. Chem. A 2005, 109, 2937.
22. R. A. Ando, R. Cunha, L. Juliano, A. C. Borin, P. S. Santos, J. Raman Spectrosc. 2008, 39, 453.
23. J. J. Oh, K. W. Hillig, R. L. Kuczkowski, J. Phys. Chem. 1991, 95, 7211.
24. J. March, Advanced Organic Chemistry: Reactions, Mechanisms, and Structure,Wiley: New York, 1985.
25. R. E. Stratmann, G. E. Scuseria, M. J. Frisch, J. Chem. Phys. 1998, 109, 8218.
26. M. E. Casida, C. Jamorski, K. C. Casida, D. R. Salahub, J. Chem. Phys. 1998, 108, 4439.
27. R. Bauernschmitt, R. Ahlrichs, Chem. Phys. Lett. 1996, 256, 454.
28. C. Reichardt, Chem. Soc. Rev. 1992, 21, 147.
29. P. R.Hammond, L. A. Burkardt, J. Phys. Chem. 1970, 74, 639.