Optical constant, molar absorption coefficient, and imaginary molar polarizability spectra of liquid hexane at 25 °C extended to 100 cm-1 and vibrational assignment and absolute integrated intensities between 4000 and 100 cm-1

Vibrational Spectroscopy

Volumn 44, Issue 1, 2007, Pages 121-132

  Keefe, C Dale ^a   MacDonald, Jennifer L ^a  

^a CAPE BRETON UNIVERSITY   (Canada)

Author keywords

Curve fit; Dipole moment derivatives; Hexane; Integrated intensities; Liquid; Optical constants; Transition moments; Vibrational assignment

Indexed keywords

CURVE FITTING; ELECTRIC DIPOLE MOMENTS; OPTICAL CONSTANTS; POLARIZATION; REFRACTIVE INDEX; VIBRATIONAL SPECTRA;

DIPOLE MOMENT DERIVATIVES; GAS PHASE SPECTRUM; INTEGRATED INTENSITIES; VIBRATIONAL ASSIGNMENT;

HEXANE;

EID: 34047117916     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2006.10.003     Document Type: Article

References (71)

1. Bertie J.E., Jones R.N., and Keefe C.D. Appl. Spectrosc. 47 (1993) 891
2. Bertie J.E., and Keefe C.D. J. Mol. Struct. 695-696 (2004) 39
3. Bertie J.E., Keefe C.D., and Jones R.N. Can. J. Chem. 69 (1991) 1609
4. Bertie J.E., Jones R.N., Apelblat Y., and Keefe C.D. Appl. Spectrosc. 48 (1994) 127
5. Bertie J.E., Apelblat Y., and Keefe C.D. J. Mol. Struct. 750 (2005) 78
6. Bertie J.E., Jones R.N., and Apelblat Y. Appl. Spectrosc. 48 (1994) 144
7. Bertie J.E., Lan Z., Jones R.N., and Apelblat Y. Appl. Spectrosc. 49 (1995) 840
8. Bertie J.E., Keefe C.D., and Jones R.N. Tables of Intensities for the Calibration of Infrared Spectroscopic Measurements in the Liquid Phase (1995), Blackwell Scientific Publications Ltd., Oxford
9. Bertie J.E., and Keefe C.D. Fresen. J. Anal. Chem. 362 (1998) 91
10. Bertie J.E., Apelblat Y., and Keefe C.D. J. Mol. Struct. 550-551 (2000) 135
11. Keefe C.D., and Pittman J. Appl. Spectrosc. 52 (1998) 1062
12. Keefe C.D., Donovan L.A., and Fleet S.D. J. Phys. Chem. A 103 (1999) 6420
13. Keefe C.D., and Donovan L.A. J. Mol. Struct. 597 (2001) 259
14. Keefe C.D., and Pearson J.K. J. Mol. Struct. 751 (2005) 190
15. Keefe C.D., MacInnis S., and Burchell T. J. Mol. Struct. 610 (2002) 253
16. Keefe C.D., and Brand E. J. Mol. Struct. 691 (2004) 181
17. Keefe C.D., Barrett J., and Jessome L.L. J. Mol. Struct. 734 (2005) 67
18. Keefe C.D., Pearson J.K., and MacDonald A. J. Mol. Struct. 655 (2003) 69
19. Keefe C.D., Bulter E., Gillis E., and MacDonald J.L. Spectrochim. Acta 67 (2007) 125
20. Keefe C.D., and MacDonald J.L. Vib. Spectrosc. 40 (2006) 166
21. Keefe C.D., and MacInnis S. J. Mol. Struct. 785 (2005) 192
22. Keefe C.D., and Bertie J.E. Spectrochim. Acta A 65 (2006) 638
23. Keefe C.D., and Bertie J.E. Spectrochim. Acta A 65 (2006) 650
24. Keefe C.D., and MacDonald J.L. J. Mol. Liq. 121 (2005) 121
25. Mirkin N.G., and Krimm S. J. Phys. Chem. 97 (1993) 13887
26. Mirkin N.G., and Krimm S. J. Mol. Struct. 550 (2000) 67
27. Huang Y.N., and Wang H.Y. Langmuir 19 (2003) 9706
28. Krimm S., and Reisdorf W.C. Faraday Discuss. 99 (1994) 181
29. Kuramshina G.M., Pentin Y.A., and Yagola A.G. J. Mol. Struct. 509 (1999) 255
30. Li X.K., Zhao B., Zhao Y.N., Li B.F., and Sun J.Z. Chem. J. Chin. Univ.-Chin. 16 (1995) 1259
31. Mannfors B., Sundius T., Palmo K., Pietila L.O., and Krimm S. J. Mol. Struct. 521 (2000) 49
32. McKelvy M.L., Britt T.R., Davis B.L., Gillie J.K., Lentz L.A., Leugers A., Nyquist R.A., and Putzig C.L. Anal. Chem. 68 (1996) R93
33. Palmo K., Mannfors B., Mirkin N.G., and Krimm S. Biopolymers 68 (2003) 383
34. Salam A., and Deleuze M.S. J. Chem. Phys. 116 (2002) 1296
35. Unger E., Lipski R.J., Dreybrodt W., and Schweitzer-Stenner R. J. Raman Spectrosc. 30 (1999) 3
36. Vansteenkiste P., Van Speybroeck V., Marin G.B., and Waroquier M. J. Phys. Chem. A 107 (2003) 3139
37. Wang Z.H., Yang C., Zhao B., and Liu J.H. Theochem-J. Mol. Struct. 357 (1995) 283
38. Wang L.Y., and Zhang Y.H. Acta Chim. Slovenica 51 (2004) 461
39. Xu S.C., Wang C.D., Sha G.H., Xie J.C., and Yang Z.Z. Theochem-J. Mol. Struct. 467 (1999) 85
40. Yang C., Huang X.R., Wang Z.Z., and Sun C.C. Theochem-J. Mol. Struct. 394 (1997) 67
41. Zhao B., Zhao Y.N., Wu M.Y., Li X.K., and Li B.F. Spectrochim. Acta A: Mol. Biomol. Spectrosc. 56 (2000) 671
42. Sivasankar N., and Vasudevan S. J. Phys. Chem. B 109 (2005) 15417
43. Schenk M., Smit B., Maesen T.L.M., and Vlugt T.J.H. Phys. Chem. Chem. Phys. 7 (2005) 2622
44. Almarza N.G., Enciso E., and Bermejo F.J. J. Chem. Phys. 96 (1992) 4625
45. Bartell L.S., and Kohl D.A. J. Chem. Phys. 39 (1963) 3097
46. Cates D.A., Strauss H.L., and Snyder R.G. J. Phys. Chem. 98 (1994) 4482
47. Harada I., Takeuchi H., Sakakibara M., Matsuura H., and Shimanouchi T. Bull. Chem. Soc. Jpn. 50 (1977) 102
48. Mizushima S., and Simanouti T. J. Am. Chem. Soc. 71 (1949) 1320
49. Padilla P., and Vega C. Mol. Phys. 84 (1995) 435
50. Sheppard N., and Szasz G.J. J. Chem. Phys. 17 (1949) 86
51. Snyder R.G. J. Chem. Phys. 47 (1967) 1316
52. Snyder R.G., and Kim Y. J. Phys. Chem. 95 (1991) 602
53. Tsuzuki S., Schafer L., Goto H., Jemmis E.D., Hosoya H., Siam K., Tanabe K., and Osawa E. J. Am. Chem. Soc. 113 (1991) 4665
54. Wong P.T.T., Mantsch H.H., and Snyder R.G. J. Chem. Phys. 79 (1983) 2369
55. Mizushima S.-I., Ohno H., and Sakura T. J. Am. Chem. Soc. 72 (1950) 4820
56. Snyder R.G., and Schachtschneider R.G. Spectrochim. Acta 21 (1965) 169
57. Gough K.M., and Srivastava H.K. J. Phys. Chem. 100 (1996) 5210
58. Gough K.M., Murphy W.F., Stroyer-Hansen T., and Svendsen E.N. J. Chem. Phys. 87 (1987) 3341
59. Gough K.M., and Murphy W.F. J. Chem. Phys. 87 (1987) 1509
60. Gough K.M., and Murphy W.F. J. Chem. Phys. 85 (1986) 4290
61. Gough K., Henry B., and Wildman T. Theochem-J. Mol. Struct. 124 (1985) 71
62. Gough K.M., and Henry B.R. J. Phys. Chem. 88 (1984) 1298
63. Bertie J.E., Zhang S.L., and Keefe C.D. J. Mol. Struct. 324 (1994) 157
64. Timmermans J. Physico-Chemical Constants of Pure Organic Liquids vol. 1 (1950), Elsevier Publishing Company Inc. p. 41
65. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., 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., 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., and Pople J.A. Gaussian 03. Revision B.05 (2003), Gaussian Inc., Pittsburgh, PA
66. Keefe C.D. J. Mol. Struct. 641 (2002) 165
67. 2 and the analysis of variance F-test. Statistics. 7th ed. (1997), Prentice-Hall, Upper Saddle River p. 553
68. Jirsak J., and Boublik T. Fluid Phase Equilibr. 226 (2004) 295
69. Fahrenfort J. The methods and results of dispersion studies. In: Davies M. (Ed). Infra-Red Spectroscopy and Molecular Structure: An Outline of the Principles (1963), Elsevier
70. Warner J.W., and Wolfsberg M. J. Chem. Phys. 78 (1983) 1722
71. Dignam M.J. Appl. Spectrosc. Rev. 21 (1988) 99