Abstract
The determination of the structure of molecules is a problem which was solved a long time ago, at least at first sight. Gas-phase electron diffraction appeared indeed at the beginning of the thirties and, at the same time, quantum mechanics permitted, at least in theory, to calculate the structure of small molecules. During the first phase of electron diffraction studies (up to the fifties), accuracy was relatively low, about 2-3 pm for bond lengths and 2° to 4° for angles. At that time, the performance of ab initio calculations was even worse. The field of gas-phase structure determination is however a continuously evolving field. It was revolutionized again after the second world war with the apparition of microwave spectroscopy. More recently, laser-based infrared spectroscopy [1] and Fourier transform infrared spectroscopy [2,3] permitted the recording of high resolution rovibrational spectra and the determination of accurate molecular constants. A striking example of the progress is that in the early sixties the accuracy of the measurements around 10 μm was a few hundreds of MHz whereas now it can be as high as a few tens of Hz.
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References
Demtröder, W. (1998) Laser Spectroscopy. Basic Concepts and Instrumentation, Springer, Heidelberg.
Bell, R.J. (1972) Introductory Fourier Transform Spectroscopy, Academic Press, New York.
Griffiths, P.R. and De Haseth, J. A. (1986) Fourier Transform Infrared Spectroscopy, Wiley, New York.
Perrin, A. (2001) in J. Demaison, K. Sarka, and E.A. Cohen (eds.), Spectroscopy from Space, NATO Science Series, Ser. II, Vol. 20, Kluwer, Dordrecht, p. 235.
Rothman, LS., Rinsland, C.P., Goldman, A., Massie, S.T., Edwards, DP., Flaud, J.-M., Perrin, A.. Camy-Peyret, C, Dana, V., Mandin, J.-Y., Schroeder, J., McCann, A., Gamache, RR., Watson, R.B., Yoshino, K., Chance, K.V., Jucks, K.W., Brown, L.R., Nemtchinov, V., and Varasani, P. (1998) J. Quant Spectrosc. Radiat. Transfer 60, 665.
Guelachvili, G. (2000) Molecular Constants mostly from Infrared Spectroscopy, Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology (New Series), Group II, Vol. 20, Springer, Berlin.
Graner, G. (1992) in A. Domenicano and I. Hargittai (eds.), Accurate Molecular Structures, Oxford University Press, Oxford, p. 65.
Wheatley, P.J. (1981) The Determination of Molecular Structure, Dover, New York.
Claassen, H.H., Chernick, C.L., and Malm, J.G. (1963) J. Am. Chem. Soc. 85, 1927.
Hollas, J.M. (1992) Modern Spectroscopy, Wiley, New York.
Bernath, P.F. (1995) Spectra of Atoms and Molecules, Oxford University Press, Oxford.
Wilson, E.B., Decius, J.C., and Cross, P.C. (1955) Molecular Vibrations, McGraw-Hill, New York.
Califano, S. (1976) Vibrational States, Wiley, New York.
Gillespie, R.J. and Hargittai, I. (1991) The VSEPR Model of Molecular Geometry, Allyn and Bacon, Boston.
Badger, R.M. (1934) J. Chem. Phys. 2, 128. (b) Badger, R.M. (1935) J. Chem. Phys. 3,710.
Perreault, D., Drouin, M., Michel, A., Miskowski, V.M., Schaefer, W.P., and Harvey, P.D. (1992) Inorg. Chem. 31, 695.
Lewerenz, M. and Quack, M. (1986) Chem. Phys. Lett. 123, 197.
Bernstein, H.J. (1962) Spectrochim. Acta 18, 161.
McKean, DC. (1978) Chem. Soc. Rev. 7, 399. (b) McKean, D.C. (1989) Int. J. Chem. Kinet. 21, 445.
Demaison, J. and Wlodarczak, G. (1994) Struct. Chem. 5, 57.
McKean, D.C. (1981) J. Mol. Struct. 113, 251.
Cox, A.P., Brittain, A.H., and Finnigan, D.J. (1971) Trans. Faraday Soc. 67, 2179.
Demaison, J., Margulès, L., and Boggs, J.E. (2000) Chem. Phys. 260, 65.
Turner, P.H. and Cox, A.P. (1978) J. Chem. Soc, Faraday Trans. 274, 533.
McGrady, G.S., Downs, A.J., Bednall, N.C., McKean, DC, Thiel, W., Jonas, V., Frenking, G., and Scherer, W. (1997) J. Phys. Chem. A 101, 1951.
Wong, J.S. and Moore, C.B. (1982) J. Chem. Phys. 77, 603.
Duncan, J.L. (1991) Spectrochim. Acta. 47A, 1.
Halonen, L. (2000) in P. Jensen and P.R. Bunker (eds.), Computational Molecular Spectroscopy, Wiley, New York, p. 325.
Jensen, P. (2000) Mol. Phys. 98, 1253.
Henry, B.R., Gough, K.M., and Sowa, M.G. (1986) Int. Rev. Phys. Chem. 5, 133. (b) Henry, B.R. (1987) Acc. Chem. Res. 20, 429.
Alanko, S. (1999) Thesis, University of Oulu, Finland.
Herman, M., Georges, R., Hepp, M., and Hurtmans, D. (2000) Int. Rev. Phys. Chem. 19, 277.
Blass, W.E. and Edwards, T.H. (1967) J. Mol. Spectrosc. 24, 111.
Craig, N.C., Abiog, O.P., Hu, B., Stone, S.C., Lafferty, W.J., and Xu, L.-H. (1996) J. Phys. Chem. 100, 5310.
Demaison, J., Hegelund, F., and Bürger, H. (1997) J. Mol. Struct. 413-414, 447.
Bürger, H., Demaison, J., Dréan, P., Jerzembeck, W., Merke, I., and Stahl, W. (1998) Ber. Bunsenges. Phys. Chem. 102, 872.
Graner, G., Hirota, E., Iijima, T., Kuchitsu, K., Ramsay, D.A., Vogt, J., and Vogt, N. (1995) in K. Kuchitsu (ed.), Structure Data of Free Polyatomic Molecules, Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology (New Series), Group II, Vol. 23, Springer, Berlin.
Hirota, E. (1992) Chem. Rev. 92, 141.
Kawaguchi, K., Kasai, Y., Ishikawa, S., Ohishi, M., Kaifu, N., and Amano, T. (1994) Astrophys. J. 420, L95.
Papoušek, D. (1989) Coll. Czech. Chem. Commun. 54, 2555.
Nakagawa, T. (1984) J. Mol. Spectrosc. 104, 402.
Maki, A.G. and Hexter, R.M. (1970) J. Chem. Phys. 53, 453.
Burczyk, K., Bürger, H., Le Guennec, M., Wlodarczak, G., and Demaison, J. (1991) J. Mol. Spectrosc. 148, 65.
Papoušek, D., Papoušková, Z., Hsu, Y.-C, Pracna, P., Klee, S., Winnewisser, M., and Demaison, J. (1993) J. Mol. Spectrosc. 159, 62.
Graner, G., Demaison, J., Wlodarczak, G., Anttila, R., Hillman, J.J., and Jennings, D.E. (1988) Mol. Phys. 64, 921.
Graner, G. and Bürger, H. (1997) in P. Papoušek (ed.), Vibration-Rotational Spectroscopy and Molecular Dynamics, World Scientific, Singapore, p. 239.
Law, M.M., Duncan, J.L., and Mills, I.M. (1992) J. Mol Struct. (Theochem) 260, 323.
Demaison, J., Breidung, J., Thiel, W., and Papoušek, D. (1999) Struct. Chem. 10, 129.
Papoušek, D., Pracna, P., Winnewisser, M., Klee, S., and Demaison, J. (1999) J. Mol. Spectrosc. 196, 319.
Sarka, K. and Demaison, J. (2000) in P. Jensen and P.R. Bunker (eds.), Computational Molecular Spectroscopy, Wiley, New York, p. 255.
Hoy, A.R., Mills, I.M., and Strey, G. (1972) Mol. Phys. 24, 1265.
Lee, T.J. and Scuseria, G.E. (1995) in S.R. Langhoff (ed.), Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, Understanding Chem. React., Vol. 13, Kluwer, Dordrecht, p. 47.
Bürger, H. and Thiel, W. (1997) in P. Papousek (ed.), Vibration-Rotational Spectroscopy and Molecular Dynamics, World Scientific, Singapore, p. 56.
Császár, A. (1998) in P.v.R. Schleyer (ed.-in-chief), Encyclopedia of Computational Chemistry, Vol. 4, Wiley, New York, p. 13.
Demaison, J., Wlodarczak, G., and Rudolph, H.D. (1997) in M. Hargittai and I. Hargittai (eds.), Advances in Molecular Structure Research, Vol. 3, JAI Press, Greenwich, p. 1.
Gauss, J. and Stanton, J.F. (2000) J. Phys. Chem. A 104, 2865.
Gauss, J. and Stanton, J.F. (1999) J. Mol. Struct. 485-486, 43.
Demaison, J., Margulès, L., Breidung, J., Thiel, W., and Bürger, H. (1999) Mol. Phys. 97, 1053.
Hedberg, L. and Mills, I.M. (1993) J. Mol. Spectrosc. 160, 117.
Kuchitsu, K., Nakata, M., and Yamamoto, S. (1988) in I. Hargittai and M. Hargittai (eds.), Stereochemical Applications of Gas-Phase Electron Diffraction, Part A, VCH, New York, p. 227.
Kuchitsu, K. (1968) J. Chem. Phys. 49, 4456.
Sipachev, V.A. (2000) Struct. Chem. 11, 167.
Herschbach, D.R. and Laurie, V.W. (1961) J. Chem. Phys. 35, 458.
Kuchitsu, K. and Morino, Y. (1965) Bull. Chem. Soc. Japan 38, 805.
Breidung, J., Demaison, J., Margulès, L., and Thiel, W. (1999) Chem. Phys. Lett. 313, 713
Beckers, H., Bürger, H., Paplewski, P., Bogey, M., Demaison, J., Dréan, P., Walters, A., Breidung, J., and Thiel, W. (2001) To be published.
Mills, I.M. (1976) J. Phys. Chem. 80, 1187.
Kurimura, H., Yamamoto, S., Egawa, T., and Kuchitsu, K. (1986) J. Mol. Struct. 140, 79.
Nakata, M., Fukuyama, T., and Kuchitsu, K. (1982) J. Mol. Struct. 81, 121.
Kawashima, Y., Endo, Y., and Hirota, E. (1989) J. Mol. Spectrosc. 133, 116.
Otake, M, Matsumura, C, and Morino, Y. (1968) J. Mol. Spectrosc. 28, 316.
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Demaison, J. (2002). Infrared Spectroscopy. In: Domenicano, A., Hargittai, I. (eds) Strength from Weakness: Structural Consequences of Weak Interactions in Molecules, Supermolecules, and Crystals. NATO Science Series, vol 68. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0546-3_3
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DOI: https://doi.org/10.1007/978-94-010-0546-3_3
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