Infrared matrix isolation and theoretical studies of the hydrogen bonded complexes between nitrous acid and 1,1-dichloroethylene

Chemical Physics

Volumn 324, Issue 2-3, 2006, Pages 689-698

  Olbert Majkut, Adriana ^a   Mielke, Zofia ^a  

^a UNIVERSITY OF WROC AW   (Poland)

Author keywords

AIM; Complexes; Dichloroethylene; FTIR; Hydrogen bond; Matrix isolation; MP2 calculations; Nitrous acid

Indexed keywords

EID: 33646817064     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2005.12.010     Document Type: Article

References (44)

1. Furutaka S., and Ikawa S. J. Chem. Phys. 117 (2002) 751
2. Fowler P.W., Legon A.C., Thumwood J.M.A., and Waclawik E.R. Chord. Chem. Rev. 197 (2000) 231
3. Aldrich P.D., Legon A.C., and Flygare W.H.J. J. Chem. Phys. 75 (1981) 2126
4. Kukolich S.G., and Aldrich P.D. J. Chem. Phys. 78 (1983) 3552
5. Legon A.C., and Millen D.J. Faraday Discuss. 73 (1982) 71
6. Legon A.C. Chem. Soc. Rev. 19 (1990) 1971
7. Shea J.A., and Flygare W.H. J. Chem. Phys. 76 (1982) 4857
8. Read W.G., and Flygare W.H. J. Chem. Phys. 76 (1982) 2238
9. Mikulskiene B., Gruodis A., Sablinskas V., and Nelander B. J. Mol. Struct. 215 (2001) 563
10. Mikulskiene B., Gruodis A., Sablinskas V., and Nelander B. Spectrochim. Acta A 59 (2003) 733
11. Kisiel Z., Fowler P.W., and Legon A.C. Chem. Phys. Lett. 176 (1991) 446
12. Barnes A.J., Davis J.B., Hallam H.E., and Howells J.D.R. J. Chem. Soc. Faraday Trans. 2 69 (1973) 246
13. Andrews L., Johnson G.L., and Kelsall B.J. J. Chem. Phys. 76 (1982) 5767
14. Barnes A.J. J. Mol. Struct. 100 (1983) 259
15. Andrews L. J. Mol. Struct. 100 (1983) 281
16. Tokhadze K.G., and Tkhorzheskaya N.A. J. Mol. Struct. 270 (1992) 351
17. Tokhadze K.G. In: Clark R.J.H., and Hester R.E. (Eds). Advances in Spectrocopy vol. 23 (1995), Wiley, New York and references therein
18. Herrebout W.A., Everaert B.J., van der Veken B.J., and Bulanin M.O. J. Chem. Phys. 107 (1997) 8886
19. Mootz D., and Deeg A. J. Am. Chem. Soc. 114 (1992) 5887
20. Frisch M.J., Pople J.A., and Del Bene J.E. J. Chem. Phys. 78 (1983) 4083
21. Tang T.H., and Cui Y.P. Can. J. Chem. 74 (1996) 1162
22. Kang H.C. Chem. Phys. Lett. 254 (1996) 135
23. Lopes K.C., Pereira F.S., Ramos M.N., and De Arauno R.C.M. Spectrochim. Acta A 57 (2001) 1339
24. Engdahl A., and Nelander B. Chem. Phys. Lett. 113 (1985) 49
25. Engdahl A., and Nelander B. J. Phys. Chem. 92 (1988) 5642
26. Tarakeshwar P., Choi H.S., and Lee S.J. J. Chem. Phys. 111 (1999) 5838
27. Mielke Z., Schriver-Mazzuoli L., and Schriver A. J. Phys. Chem. A 101 (1997) 4560
28. Krajewska M., Mielke Z., and Tokhadze K.G. J. Mol. Struct. 404 (1997) 47
29. Andrews L., Johnson G.L., and Kelsall B.J. J. Phys. Chem. 86 (1982) 3374
30. Li R.Y., Li Z.R., Wu D., Li Y., Chen W., and Sun C.C. J. Chem. Phys. 121 (2004) 8775
31. Mielke Z., Tokhadze K.G., Latajka Z., and Ratajczak E. J. Phys. Chem. 100 (1996) 539
32. Frish M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheesman J.R., Zakrzewski V.G., Montgomery Jr. J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Otriz J.V., Baboul A.G., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts M., 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.M., Andres J.L., Gonzales C., Head-Gordon M., Replogle E.S., and Pople J.A. Gaussian 98, Revision A.9 (1998), Gaussian Inc., Pittsburgh, PA
33. Boys S.F., and Bernardi F. Mol. Phys. 19 (1970) 553
34. Bader R.F.W. Atoms in Molecules, a Quantum Theory (1990), Oxford Science Publication/Clarendon Press, London
35. Mielke Z., Latajka Z., Olbert-Majkut A., and Wieczorek R. J. Phys. Chem. 104 (2000) 3746
36. Cortland H.E., and Pimentel G.C. J. Phys. Chem. 90 (1986) 5485
37. Haas Y., and Samuni U. In: Wancock G., and Compton R. (Eds). Research in Chemical Kinetics (1998), Blackwell Science, Oxford
38. Schriver-Mazzuoli L., Schriver A., and Wierzejewska-Hnat M. Chem. Phys. 199 (1995) 227
39. Nord L. J. Mol. Struct. 96 (1982) 19
40. M. Wierzejewska, Z. Mielke, R. Wieczorek, Z. Latajka, 228 (1998) 17.
41. Krajewska M., Latajka Z., Mielke Z., Mierzwicki K., Olbert-Majkut A., and Sałdyka M. J. Phys. Chem. B 108 (2004) 15578
42. A. Olbert-Majkut, Z. Mielke, in preparation.
43. -1 doublet was assumed as the OH stretching frequency of the trans-HONO monomer.
44. Koch U., and Popelier P.L.A. J. Phys. Chem. 99 (1995) 9747