H-bonded clusters in the trimethylamine/water system: A matrix isolation and computational study

Journal of Physical Chemistry A

Volumn 116, Issue 16, 2012, Pages 4089-4096

  Rozenberg, Mark ^a   Loewenschuss, Aharon ^a   Nielsen, Claus J ^b  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEX CLUSTERS; COMPUTATIONAL STUDIES; COOPERATIVE EFFECTS; EMPIRICAL CORRELATIONS; H-BONDED; H-BONDED COMPLEXES; INFRARED SPECTRUM; MATRIX ISOLATION; MATRIX LAYERS; PARENT MOLECULES; RED SHIFT; SCALED FREQUENCIES; SOLID ARGON; SPECTRAL BAND; STABILIZATION ENERGY; TRIMETHYLAMINE; VAPOR PHASE; WATER MOLECULE;

FOURIER TRANSFORM INFRARED SPECTROSCOPY;

MOLECULES;

METHYLAMINE; TRIMETHYLAMINE; WATER;

ARTICLE; CHEMISTRY; HYDROGEN BOND; INFRARED SPECTROSCOPY; QUANTUM THEORY;

HYDROGEN BONDING; METHYLAMINES; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; WATER;

EID: 84860288883     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3020035     Document Type: Article

References (49)

1. Ge, X.; Wexler, A. S.; Clegg, S. L. Atmospheric amines-Part I. A review Atmos. Environ. 2011, 45 (3) 524-546
2. Thitakamol, B.; Veawab, A.; Aroonwilas, A. Int. J. Greenhouse Gas Control 2007, 1, 318-342
3. Fostås, B.; Gangstad, A.; Nenseter, B.; Pedersen, S.; Sjøvoll, M.; Sørensen, A. L. Energy Procedia 2011, 4, 1566-1573
4. Millen, D. J.; Mines, G. W. J. Chem. Soc., Faraday Trans. II 1977, 73, 369-377
5. Tubergen, M. J.; Kuczkowski, R. L. J. Am.Chem. Soc. 1993, 115, 9263-9266
6. Mmereki, B. T.; Hicks, J. M.; Donaldson, D. J. J. Phys. Chem. A 2000, 104, 10789-10793
7. Goldfarb, T. D.; Khare, B. N. J. Chem. Phys. 1967, 46 (9) 3379-3384
8. Murphy, W. F.; Zerbetto, F.; Duncan, J. L.; McKean, J. L. J. Phys. Chem. 1993, 97, 581-595
9. Rozenberg, M.; Loewenschuss, A. J. Phys. Chem. A 2009, 113 (17) 4963-4971
10. Rozenberg, M.; Loewenschuss, A.; Nielsen, C. J. J. Phys. Chem. A 2011, 115, 5759-5766
11. Rablen, P. R.; Lockman, J. W.; Jorgensen, W. L. J. Phys. Chem. A 1998, 102, 3782-3797
12. Mmereki, B. T.; Hicks, J. M.; Donaldson, D. J. J. Phys. Chem. A 2000, 104, 10789-10793
13. Mmereki, B. T.; Donaldson, D. J. J. Phys. Chem. A 2002, 106, 3185-3190
14. Graton, J.; Berthelot, M.; Besseau, F.; Laurence, C. J. Org. Chem. 2005, 70, 7892-7901
15. Iogansen, A. V. Spectrochim. Acta 1999, A55, 1585-1612
16. Iogansen, A. V. Izvestiya Academii Nauk SSSR, Ser. Fiz. 1989, 53 (9) 1741-1745; English transl., 1989 by Allerton Press Inc
17. Odinokov, S. E.; Iogansen, A. V. Spectrochim. Acta 1972, 28A, 2343-2350
18. Iogansen, A. V.; Kurkchi, G. A.; Dementjeva, L. A. J. Mol. Struct. 1976, 35, 101-114
19. Becke, A. D. J. Chem. Phys.. 1993, 98, 5648
20. 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.; Gaussian 03, Revision B.03; Gaussian, Inc.: Pittsburgh, PA, 2003.
21. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007
22. Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796
23. Simon, S.; Duran, M.; Dannenberg, J. J. J. Chem. Phys. 1996, 105, 11024
24. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553
25. Rozenberg, M.; Loewenschuss, A.; Nielsen, C. J. (to be published).
26. Rozenberg, M.; Loewenschuss, A.; Marcus, Y. Phys. Chem. Chem. Phys. 2000, 2, 2699-2702
27. Luck, W. A. P.; Klein, D.; Rangsriwatananon, K. J. Mol. Struct. 1997, 416, 287-296
28. Weimann, M.; Farnik, M.; Suhm, M. A.; Alikhani, M. E.; Sadlej, J. J. Mol. Struct. 2006, 790, 18-26
29. Engdahl, A.; Nelander, B. J. Mol. Struct. 1989, 193, 101-109
30. Natsheh, A. A.; Nadykto, A. B.; Mikkelsen, K. V.; Yu, F.; Ruuskanen, J. J. Phys. Chem. 2004, 108, 8914-8929
31. Miller, Y.; Chaban, G. M.; Gerber, R. B. J. Phys. Chem. A 2005, 109, 6565-6574
32. Rozenberg, M.; Shoham, G.; Reva, I.; Fausto, R. Phys. Chem. Chem. Phys. 2005, 7, 2376-2383
33. Cabaleiro-Lago, E. M.; Rios, M. A. J. Chem. Phys. 2000, 112, 2155-2163
34. Sundararajan, K.; Sankaran, K.; Viswanathan, K. S. J. Mol. Struct. 2005, 733, 187-192
35. Gor, G. U.; Tapio, S.; Domanskaya, A.; Rasanen, M.; Nemukhin, A. V.; Khriachtchev, L. Chem. Phys. Lett. 2010, 517, 9-15
36. Nibu, Y.; Marui, R.; Shimada, H. J. Phys. Chem. A 2006, 110, 12597-12602
37. Han, S. W.; Kim, K. J. Phys. Chem. 1996, 100, 17124-17132
38. George, L.; Sander, W. Spectrochim. Acta, Part A 2004, 60, 3225-3232
39. Sahu, P. K.; Mishra, R. K.; Lee, S.-L. J. Phys. Chem., A 2005, 109, 2887-2893
40. Goebel, J. R.; Ault, B.; Del Bene, J. E. J. Phys. Chem., A 2001, 105, 6430-6435
41. Marushkevich, K.; Khriachtchev, L.; Lundell, J.; Domanskaya, A.; Rasanen, M. J. Phys. Chem., A 2010, 114, 3495-3502
42. Asselin, P.; Goubet, M.; Latajka, Z.; Soulard, P.; Lewerenz, M. Phys. Chem. Chem. Phys. 2005, 7, 592-599
43. Sanchez-Garcia, E.; Studentkowski, M.; Montero, L. A.; Sander, W. ChemPhysChem. 2005, 6, 618-624
44. Li, A. Y.; Wang, S. W. J. Mol. Struct., Theochem. 2007, 807, 1291-199
45. Parveen, S.; Das, S.; Chandra, A. K.; Zeegers-Huyskens, T. J. Theor. Comput. Chem. 2008, 7 (6) 1171-1186
46. Kone, M.; Illien, B.; Laurence, C.; Graton, J. J. Phys. Chem., A 2011, 115, 13975-13985
47. Liu, G.; Zhang, X. J. Mol. Struct., Theochem. 2007, 817, 147-152
48. Vener, M. V.; Egorova, A. N.; Tsirelson, V. G. Chem. Phys. Lett. 2010, 500, 272-276
49. Iwasaki, A.; Fujii, A.; Watanabe, T.; Ebata, T.; Mikami, N. J. Phys. Chem. 1996, 100, 16053-16057