On the planarity of styrene and its derivatives: The molecular structures of styrene and (Z)-β-bromostyrene as determined by ab initio calculations and gas-phase electron diffraction

Journal of Molecular Structure

Volumn 413-414, Issue , 1997, Pages 313-326

  Cochran, John C ^a   Hagen, Kolbjørn ^b   Paulen, Gunnar ^b   Shen, Quang ^a   Tom, Samson ^a   Traetteberg, Marit ^b   Wells, Christopher ^a  

^a Center for Language and Brain   (United States)

^b NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

Author keywords

Conformation; Conjugation; Electron diffraction; Structure; Styrene

Indexed keywords

EID: 0030773737     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(97)00071-9     Document Type: Article

References (48)

1. L.A. Carreira and T.G. Towns, J. Chem. Phys., 63 (1975) 5283.
2. J.M. Hollas and T. Ridley, Chem. Phys. Lett., 75 (1980) 94.
3. W.M. Ralowski, P.J. Mjoberg and J.E. Almlof, J. Chem. Soc. Faraday Trans., 71 (1975) 1109.
4. W.M. Ralowski, P.J. Mjoberg and S.O. Ljungren, J. Mol. Struct., 30 (1976) 1.
5. W.M. Ralowski, P.J. Mjoberg and S.O. Ljungren, J. Mol. Struct., 31 (1976) 169.
6. W. Caminatti, B. Vogelsanger and A. Bauder, J. Mol. Spectrosc., 128 (1988) 384.
7. J.M. Holas, H. Musa, T. Ridley, P.H. Turner, K.H. Weisenberger and V. Fawcett, J. Mol. Spectrosc., 94 (1982) 437.
8. R.M. Villamanan, J.C. Lopez and J.L. Alonso, J. Am. Chem. Soc., 111 (1989) 6487.
9. G. Favini and M.Simonetta, Theor. Chim. Acta., 1 (1963) 294.
10. P.L. Britton, C.L. Cheng, R.J.W. LeFevre, L. Radom, G.L.D. Ritchie, J. Chem. Soc. (London) B, (1971) 2100.
11. N.L. Allinger and J.T. Sprague, J. Am. Chem. Soc., 95 (1973) 3893.
12. J.E. Almløf, P.U. Isacsson, P.J. Mjoberg, W.M. Ralowski, Chem. Phys. Lett., 26 (1974) 215.
13. J. Sühnel and K. Gustav, Z. Chem., 17 (1977) 342.
14. W.F. Reynolds, P.G. Mezey and G.K. Hamer, Can. J. Chem., 55 (1977) 522.
15. F. Mommicchioli, I. Baraldi and M.C. Bruni, Chem. Phys., 70 (1982) 161.
16. C.W. Bock, M. Trachtman and P. George, Chem. Phys., 93 (1985) 431.
17. T. Schaefer, R. Sebastian and G.H. Penner, Can. J. Chem., 66 (1988) 584.
18. K.L. Facchine, S.W. Staley, P.C.M. van Zijl, P.K. Mishra and A.A. Bothner-By, J. Am. Chem. Soc., 110 (1988) 4900.
19. T. Schaefer and G.H. Penner, Chem. Phys. Lett., 114 (1985) 526.
20. S. Tsuzuki, K. Tanabe and E. Osawa, J. Phys. Chem., 94 (1990) 6175.
21. M. Head-Gordon and J.A. Pople, J. Phys. Chem., 97 (1993) 1147.
22. R. Hargitai, P.G. Szaly, G. Pongor and G. Fogorasi, J. Mol. Struct. (Theochem), 306 (1994) 293.
23. S.J. Cristol and W.P. Norris, J. Am. Chem. Soc., 75 (1975) 2645.
24. W. Zeil, J. Hasse and L.Z. Wegmann, Instrumentenkd., 64 (1966) 84.
25. O. Bastiansen, R. Graber and L. Wegmann, Balzers High Vac. Rep., 25 (1969) 1.
26. M.J Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V, Ortiz. J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, GAUSSIAN 94, Rev. B.1. Gaussian Inc., Pittsburgh PA, 1995.
27. J.B. Foresman and Æ. Frisch, Exploring Chemistry with Electronic Structure Methods., 2nd ed., Gaussian I nc., Pittsburgh, PA, 1996, p. 63.
28. K.S. Pitzer, L. Guttman and E.F. Westrum, J. Am. Chem. Soc., 68 (1946) 2209.
29. W.G. Fateley, G.C. Carlson and F.E. Dickson, Appl. Spectrosc., 22 (1968) 650.
30. W.D. Mross and G. Zundel, Spectrochim. Acta Part A, 26 (1970) 1109.
31. D.A. Condirston and J.D. Laposa, J. Mol. Spectrosc., 63 (1976) 466.
32. L. Hedberg, Abstract of Papers, 5th Austin Symposium on Gas Phase Molecular Structure. Austin, TX, March 1974, p. 37.
33. G. Gundersen and K. Hedberg, J. Chem. Phys., 51 (1969) 2500.
34. L. Schafer, A.C. Yates and R.A. Bonham, J. Chem. Phys., 56 (1971) 3056.
35. Q. Shen and K. Hagen, J. Phys. Chem., 91 (1987) 1357.
36. E. Hirota, Y. Endo and S. Saito, J. Mol. Spectrosc., 89 (1981) 223.
37. P.A.G. Huismen and F.C.J. Mijhoff, Mol. Struct., 54 (1979) 145.
38. P.A.G. Huismen and F.C. Mijhoff, J. Mol. Struct., 57 (1979) 83.
39. K. Hagen and R. Stolevik, J. Mol.Struct., 147 (1986) 341.
40. M. Traetteberg, H. Hopf, H. Lipka. R. Hänel, Chem. Ber., 127 (1994) 1459.
41. W.E. Sinclair, H. Yu, D. Phillips, R.D. Gordon, J.M. Hollas, S. Klee and G. Mellau, J. Phys. Chem., 99 (1995) 4386.
42. J.M. Hollas and M.Z. Bin Hussein, J. Mol. Spectrosc., 145 (1991) 89.
43. J.M. Hollas and P.F. Taday, J. Chem. Soc. Faraday Trans., 87 (1991) 3585.
44. V.P. Manea and J.R. Cable, J. Chem. Phys., 105 (1996) 5687.
45. Y. Ni, J.S. Siegel, V.L. Hsu and S. Kearns, J. Phys. Chem., 95 (1991) 9211.
46. Y. Ni, J.S. Siegel and D.R. Kearns, J. Phys. Chem., 95 (1991) 9208.
47. T. Schaefer, S. Kroeker and D.M. McKinnon, Can. J. Chem., 73 (1995) 1478.
48. T. Schaefer, S. Kroeker and D.M. McKinnon, Can. J. Chem., 73 (1995) 2208.