Inelastic incoherent neutron scattering study of the molecular properties of pure hydrogen peroxide and its water mixtures of different concentration

Journal of Chemical Physics

Volumn 140, Issue 16, 2014, Pages

  Albers, Peter W ^a   Glenneberg, Jürgen ^b   Refson, Keith ^c   Parker, Stewart F ^c  

^a AQura GmbH   (Germany)

^b EVONIK INDUSTRIES AG   (Germany)

^c RUTHERFORD APPLETON LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

PHYSICAL CHEMISTRY; PHYSICS;

COMPOSITION RANGES; DIHYDRATES; INELASTIC INCOHERENT NEUTRON SCATTERING; MOLECULAR PROPERTIES; WATER MIXTURE;

MIXTURES;

EID: 84899856611     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4871742     Document Type: Article

References (51)

1. C. W. Jones, " Applications of hydrogen peroxide and derivatives," RSC Clean Technology Monographs (Royal Society of Chemistry, Cambridge, 1999). http://h2o2.evonik.com/product/h2o2/en/application-areas/ pages/default.aspx.
2. G. Goor, J. Glenneberg, and S. Jacobi, " Hydrogen peroxide," in Ullmanns's Encyclopedia of Industrial Chemistry, 7th ed. (Wiley-VCH, Weinheim, 2012), Vol. 18, pp. 393-427.
3. Wasserstoffperoxid und seine Derivate, edited by W. Weigert (Hüthig, Heidelberg, 1978).
4. P. A. Giguère, J. Chem. Phys. 18, 88 (1950). 10.1063/1.1747464
5. O. Bain and P. A. Giguère, Can. J. Chem. 33, 527 (1955). 10.1139/v55-063
6. W. T. Foley and P. A. Giguère, Can. J. Chem. 29, 123 (1951). 10.1139/v51-016
7. P. A. Giguère and K. B. Harvey, J. Mol. Spectrosc. 3, 36 (1959). 10.1016/0022-2852(59)90005-0
8. S. F. Trevino, M. K. Farr, P. A. Giguère, and J. L. Arnau, J. Chem. Phys. 68, 4260 (1978). 10.1063/1.436294
9. P. A. Giguère, J. Chem. Ed. 60, 399 (1983), and literature cited therein. 10.1021/ed060p399
10. P. A. Giguère and C. Chapados, Spec. Acta 22, 1131 (1966). 10.1016/0371-1951(66)80204-7
11. H. Cynn, C.-S. Yoo, and S. A. Sheffield, J. Chem. Phys. 110, 6836 (1999). 10.1063/1.478588
12. J.-Y. Chen, M. Kim, C.-S. Yoo, D. M. Dattelbaum, and S. Sheffield, J. Chem. Phys. 132, 214501 (2010). 10.1063/1.3429986
13. O. Mo, M. Yanez, I. Rozas, and J. Elguero, J. Chem. Phys. 100, 2871 (1994). 10.1063/1.466429
14. See http://webbook.nist.gov./cgi/cbook.cgi?ID=C7722841&Mask=800; http://www.cfa.harvard.edu/hitran/vibrational.html for a link to the high-resolution transmission molecular absorption database.
15. R. W. Carlson, M. S. Anderson, R. E. Johnson, W. D. Smythe, A. R. Hendrix, C. A. Barth, L. A. Soderblom, G. B. Hansen, T. B. McCord, J. B. Dalton, R. N. Clark, J. H. Shirley, A. C. Ocampo, and D. L. Matson, Science 283, 2062 (1999). 10.1126/science.283.5410.2062
16. R. L. Hudson and M. H. Moore, Astrobiology 6, 483 (2006). 10.1089/ast.2006.6.483
17. M. J. Loeffler and R. A. Baragiola, J. Phys. Chem. A 115, 5324 (2011). 10.1021/jp200188b
18. L. Hao, X. Chen, and H. Wie, see www.aidic.it/isic18/webpapers/131Hao.pdf for a description of the preparation conditions in concentrating hydrogen peroxide.
19. Handbook of Preparative Inorganic Chemistry, edited by G. Brauer (Academic Press, New York, 1963), Vol. 1, pp. 140-141.
20. http://h2o2.evonik.com/product/h2o2/en/about/calculations/pages/ calculate.aspx based on W. C. Schumb, C. N. Satterfield, and R. L. Wentworth, Hydrogen Peroxyde (Reinhold Publishing Corporation, New York, 1955), using the universal equation system outlined therein on p. 198.
21. D. Colognesi, M. Celli, F. Cilloco, R. J. Newport, S. F. Parker, V. Rossi-Albertini, F. Sacchetti, J. Tomkinson, and M. Zoppi, Appl. Phys. A (Suppl.) 74, s64 (2002). 10.1007/s003390101078
22. S. F. Parker, D. Lennon, and P. W. Albers, Appl. Spectrosc. 65, 1325 (2011). 10.1366/11-06456
23. S. J. Clark, M. D. Segall, C. J. Pickard, P. J. Hasnip, M. J. Probert, K. Refson, and M. C. Payne, Z. Kristallogr. 220, 567 (2005). 10.1524/zkri.220.5. 567.65075
24. K. Refson, P. R. Tulip, and S. J. Clark, Phys. Rev. B 73, 155114 (2006). 10.1103/PhysRevB.73.155114
25. See http://www.castep.org/ for K. Refson, Phonons and Related Calculations in CASTEP.
26. A. J. Ramirez-Cuesta, Comput. Phys. Commun. 157, 226 (2004). 10.1016/S0010-4655(03)00520-4
27. W. R. Busing and H. A. Levy, J. Chem. Phys. 42, 3054 (1965). 10.1063/1.1696379
28. E. Prince, S. F. Trevino, C. S. Choi, and M. K. Farr, J. Chem. Phys. 63, 2620 (1975). 10.1063/1.431655
29. J.-M. Savariault and M. S. Lehmann, J. Am. Chem. Soc. 102, 1298 (1980). 10.1021/ja00524a012
30. I. Olovsson and D. H. Templeton, Acta Chem. Scand. 14, 1325 (1960). 10.3891/acta.chem.scand.14-1325
31. J.-M. Flaud, C. Camy-Peyret, J. W. C. Johns, and B. Carli, J. Chem. Phys. 91, 1504 (1989). 10.1063/1.457110
32. J. L. Arnau, P. A. Giguère, M. Abe, and R. C. Taylor, Spectrosc. Acta A 30, 777 (1974). 10.1016/0584-8539(74)80196-0
33. J.-C. Li, J. D. London, D. K. Ross, J. L. Finney, J. Tomkinson, and W. F. Sherman, J. Chem. Phys. 94, 6770 (1991). 10.1063/1.460253
34. A. I. Kolesnikov, J.-C. Li, S. F. Parker, R. S. Eccleston, and C.-K. Loong, Phys. Rev. B 59, 3569 (1999). 10.1103/PhysRevB.59.3569
35. J.-C. Li, J. Chem. Phys. 105, 6733 (1996). 10.1063/1.472525
36. J. C. Li and A. I. Kolesnikov, J. Mol. Liq. 100, 1 (2002). 10.1016/S0167-7322(02)00009-0
37. R. C. Smith and S. J. Wyard, Nature (London) 189, 211 (1961). 10.1038/189211a0
38. A. I. Kolesnikov, J.-C. Li, S. F. Parker, R. S. Eccleston, and C.-K. Loong, Phys. Rev. B 59, 3569 (1999). 10.1103/PhysRevB.59.3569
39. K. A. Cooper and J. G. Watkinson, Trans. Faraday Soc. 53, 635 (1957). 10.1039/tf9575300635
40. A. Erba, S. Casassa, R. Dovesi, L. Maschio, and C. Pisani, J. Chem. Phys. 130, 074505 (2009). 10.1063/1.3076921
41. P. Zhang, L. Tian, Z. P. Zhang, G. Shao, and J.-C. Li, J. Chem. Phys. 137, 044504 (2012). 10.1063/1.4736853
42. L. Tian, A. I. Kolesnikov, and J.-C. Li, J. Chem. Phys. 137, 204507 (2012). 10.1063/1.4767718
43. G. Rauhut and P. Pulay, J. Phys. Chem. 99, 3093 (1995). 10.1021/j100010a019
44. R. L. Miller and D. F. Hornig, J. Chem. Phys. 34, 265 (1961). 10.1063/1.1731575
45. J. L. Arnau and P. A. Giguère, Can. J. Spectrosc. 17, 121 (1972).
46. J. R. Scherer and R. G. Snyder, J. Chem. Phys. 67, 4794 (1977). 10.1063/1.434683
47. T. C. Sivakumar, S. A. Rice, and M. G. Sceats, J. Chem. Phys. 69, 3468 (1978). 10.1063/1.437079
48. W. Hagen, A. G. Gm. Tielens, and J. M. Greenberg, Chem. Phys. 56, 367 (1981). 10.1016/0301-0104(81)80158-9
49. P. Landon, P. J. Collier, A. J. Papworth, C. J. Kiely, and G. J. Hutchings, Chem. Commun. (18) 2058 (2002). 10.1039/b205248m
50. J. K. Edwards, B. Solsona, E. N. Ntainjua, A. F. Carley, A. A. Herzing, C. J. Kiely, and G. J. Hutchings, Science 323, 1037 (2009). 10.1126/science. 1168980
51. C. Sivadinarayana, T. V. Choudhary, L. L. Daemen, J. Eckert, and D. W. Goodman, J. Am. Chem. Soc. 126, 38 (2004). 10.1021/ja0381398