Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values

Journal of Molecular Structure

Volumn 447, Issue 3, 1998, Pages 163-215

  Gussoni, M ^a   Rui, M ^b   Zerbi, G ^c  

^a CNR   (Italy)

^b UNIVERSITY OF GENOA   (Italy)

^c POLITECNICO DI MILANO   (Italy)

Author keywords

Charge distribution; Electronic polarizability; Relaxation polarizability; Response functions; Vibrational intensities

Indexed keywords

HALOGEN; HYDROCARBON; POLYMER;

ANISOTROPY; ARTICLE; ELECTRIC FIELD; LINEAR SYSTEM; MOLECULAR DYNAMICS; POLARIZATION; QUANTUM MECHANICS; VIBRATION;

EID: 0032411199     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(97)00292-5     Document Type: Article

References (171)

1. G. Zerbi (Ed.), Organic Materials for Photonics, North Holland, Amsterdam, 1993.
2. A.D. Buckingham, Permanent and induced molecular moments and long-range intermolecular forces Adv. Chem. Phys 12 (1967) 107.
3. I.D.S. Chemla, J. Zyss (Eds.), Nonlinear Optical Properties of Organic Molecules and Crystals, Academic Press, New York, 1987.
4. T.N. Prasad, D.J. Williams, Nonlinear Optic Effect in Molecules and Polymers, Wiley, New York, 1991.
5. C. Castiglioni, M. Gussoni, M. del Zoppo, G. Zerbi, Relaxation contribution to hyperpolarizability. A semiclassical model Solid State Commun. 82 (1992) 13.
6. M. del Zoppo, C. Castiglioni, G. Zerbi, M. Rui, M. Gussoni, Nonlinear optical response to strong applied electromagnetic field in polyconjugated materials Synth. Metals 51 (1992) 135.
7. M. del Zoppo, C. Castiglioni, G. Zerbi, A novel approach to estimate NLO response in organic conjugated molecules from vibrational spectra molecules with large values Nonlin. Opt. 9 (1995) 73.
8. C. Castiglioni, M. del Zoppo, P. Zuliani, G. Zerbi, Experimental molecular polarizabilities from vibrational spectra in systems with large electron-phonon coupling Synth. Metals 74 (1995) 171.
9. C. Castiglioni, M. del Zoppo, G. Zerbi, Molecular first hyperpolarizability of push-pull polyenes. Relationship between electronic and vibrational contribution by a two-state model Phys. Rev. B 53 (1996) 13319.
10. M. Gussoni, Infrared and Raman intensities from electro-optical parameters. In: R.J.H. Clark, R.E. Hester (Eds.), Advances in Infrared and Raman Spectroscopy, vol. 6, Heyden, London, 1979.
11. W.B. Person, G. Zerbi (Eds.) Vibrational Intensities in Infrared and Raman Spectroscopy, Elsevier, Amsterdam, 1983.
12. M. Gussoni, Role of the vibrational intensities in the determination of the molecular structure and charge distribution J. Mol. Struc. (Theochem) 113 (1984) 323.
13. M. Gussoni, C. Castiglioni, G. Zerbi, Charge distribution from infrared intensities: charges on hydrogen atoms and hydrogen bond J. Chem. Phys. 80 (1984) 1377.
14. M. Gussoni, Infrared intensities: a new tool in chemistry J. Mol. Struc. (Theochem) 141 (1986) 63.
15. M. Gussoni, C. Castiglioni, M. Neves Ramos, M. Rui, G. Zerbi, Infrared intensities: from intensity parameters to an overall understanding of the structure J. Mol. Struc. (Theochem) 224 (1990) 445.
16. C.J.F. Bottcher, Theory of Electric Polarization, Elsevier, Amsterdam, 1952.
17. J.H. van Vleck, The Theory of Electric and Magnetic Susceptibility, Oxford University Press, London, 1952.
18. C.P. Smyth, Dielectric Behaviour and Structure, McGraw-Hill, New York, 1955.
19. H. Frolich, Theory of Dielectrics, Oxford University Press, London, 1959.
20. D.H. Whiffen, Atomic polarization and infrared absorption Trans. Faraday Soc. 54 (1958) 327.
21. D.A.A.S. Narayana Rao, Atomic polarization and infrared absorption Trans. Faraday Soc. 59 (1963) 43.
22. D. Rinaldi, M.F. Ruiz-Lopez, M.T.C. Martins Costa, J.L. Rivail, Theoretical calculation of vibrational polarizabilities. An application to the study of conformational and solvent effects Chem. Phys. Lett. 128 (1986) 177.
23. K.J. Miller, Additivity methods in molecular polarizability J. Am. Chem. Soc. 112 (1990) 8533.
24. D.M. Bishop, L.M. Cheung, Vibrational contribution to molecular dipole polarizability J. Phys. Chem. Ref. Data 11 (1982) 119.
25. H. E. Watson, K.L. Ramaswamy, The refractive index dispersion and polarization of gases Proc. Roy. Soc. A 156 (1936) 144.
26. C.H. Rhee, R.M. Metzger, F.M. Wiygul, CNDO/2-FPP atomin-molecule polarizabilities J. Chem. Phys. 77 (1982) 899.
27. C.G. LeFevre, R.J.W. LeFevre, Molecular polarizability. Its anisotropy in aliphatic and aromatic structures J. Chem. Soc. (1954) 1577.
28. Y. Koga, S. Kondo, S. Saeki, W.B. Person, Infrared intensities of acetonitrile J. Phys. Chem. 88 (1984) 3152.
29. D.R. Lide, Handbook of Chemistry and Physics, CRC Press, Boston, 1991.
30. T. Koops, T. Visser, W.M.A. Smit, The harmonic force field and absolute infrared intensities of diacetylene J. Mol. Struct. 125 (1984) 179.
31. M. Khlifi, F. Raulin, E. Aric, G. Graner, Absolute intensity of the i.r. band of propynenitrile J. Mol. Spectrosc. 143 (1990) 209.
32. G.R. Alms, A.K. Burnham, W.H. Flygare, Measurement of the dispersion in polarizability anisotropies J. Chem. Phys. 63 (1975) 3321.
33. M. Bogaard, A.D. Buckingham, R.K. Pierens, A.H. White, Rayleigh scattering depolarization ratio and molecular polarizability anisotropy for gases J. Chem. Soc. Faraday Trans. 74 (1978) 3008.
34. T. Koops, T. Visser, W.M.A. Smit, L. Brandsma, H.D. Verkrujsse, The harmonic force field and absolute infrared intensities of butyne-2 J. Mol. Struct. 100 (1983) 95.
35. M. Khiifi, F. Raulin, Infrared intensities and frequencies of 2-butynenitrile. Application to the atmosphere of titan Spectrochim. Acta A 47 (1991) 171.
36. Landolt-Bornstein. Zahlenwerte und funktionen aus Physik, Chemie, Astronomie, Geophysik und Technik, VI auflage, I band, 3 teil, Springer, Berlin, 1951.
37. A.M. Coats, D.C. McKean, C. Starcke, W. Thiel, Experimental and theoretical infrared intensities of the fundamental bands of zinc, cadmium and mercury dimethyls; electrooptical parameters, atomic polar tensors and effective atomic charges Spectrochim. Acta A 51 (1995) 685.
38. 2 and SCSe J. Mol. Struc. 4 (1969) 163.
39. W.B. Person, K.G. Brown, D. Steele, D. Peters, Ab initio calculations of vibrational properties of some linear triatomic molecules. Intensities J. Phys. Chem. 85 (1981) 1998.
40. C. Cuthbertson, M. Cuthbertson, On the refraction and dispersion of halogens, halogen acids, ozone, oxides of nitrogen and ammonia Phil. Trans. R. Soc. A 213 (1913) 1.
41. K.B. Wiberg, R.C. Dempsey, J. Wendoloski, Vibrational intensities: cyclopropene. A molecular force field and dipole moment derivatives J. Phys. Chem. 88 (1984) 5596.
42. T. Nakanaga, Infrared band intensities of ethylenoxide J. Chem. Phys 74 (1981) 5384.
43. A.G. Finkel, M.G. Bozov, L.M. Sverdlov, Experimental and theoretical study of absolute intensities in the IR spectra of gaseous hydrocarbons propylene and isobutylene Opt. Spectrosc. 19 (1965) 33.
44. Landolt-Bornstein. Zahlenwerte und funktionen aus Physik, Chemie, Astronomie, Geophysik und Technik, vol. VI auflage, 1 band, 8 teil, Springer, Berlin, 1962.
45. K.B. Wiberg, R.E. Rosenberg, Butadiene-1. A normal coordinate analysis and IR intensities. Structure of the second rotamer J. Am. Chem. Soc. 112 (1990) 1509.
46. H.J. Olichmann, D. Bougeard, B. Schrader, Coupled calculations of vibrational frequencies and intensities. Part V. Infrared and Raman spectra of glyoxal and acroleyn J. Mol. Struc. 77 (1981) 149.
47. R.O. Kagel, D.L. Powell, J. Overend, M.N. Ramos, A.B.M.S. Bassi, R.E. Bruns, Infrared gas-phase intensity measurement, polar tensors, effective charges of cis-difluoro- and its deuterated modifications J. Chem. Phys. 78 (1983) 7029.
48. R.O. Kagel, D.L. Powell, M.J. Hopper, J. Overend, M.N. Ramos, A.B.M.S. Bassi, R.E. Bruns, Infrared gas-phase intensity measurement, polar tensors, effective charges of trans-difluoro- and trans-dichloro-ethylene J. Phys. Chem. 88 (1984) 521.
49. R.O. Kagel, D.L. Powell, J. Overend, M.N. Ramos, A.B.M.S. Bassi, R.E. Bruns, Infrared gas-phase intensity measurement, polar tensors, effective charges of vinilidenfluoride and its deuterated modifications J. Chem. Phys. 77 (1982) 1099.
50. 4X (X = O, S, Se). Comparison of experimental results and ab initio calculations J. Phys. Chem. 96 (1992) 7301.
51. M.J. Dewar, J.J.P. Stewart, A new procedure for calculating molecular polarizabilities. Applications using MNDO Chem. Phys. Lett. 111 (1984) 416.
52. Z. Huang, D.A. Jelski, R. Wang, D. Xie, C. Zhao, X. Xia, T.F. George, Polarizabilities of trans and cis polyacetylene and interactions among chains of crystalline polyacetylene Can. J. Chem. 70 (1992) 372.
53. K.J. Miller, Calculation of the molecular polarizability tensor J. Am. Chem. Soc. 112 (1990) 8543.
54. C.P. Smyth, The dielectric polarization of liquids. V. The atomic polarization J. Am. Chem. Soc. 51 (1929) 2051.
55. 2 J. Chem. Phys. 79 (1983) 19.
56. R.A. Oriani, C.P. Smyth, Dipole moment rotation of some chlorinated hydrocarbons J. Chem. Phys. 17 (1949) 1174.
57. M.A. Lasheen, I.H. Ibrahim, Optical anisotropies of some organic molecules Acta Cryst. A31 (1975) 136.
58. E.W. Rothe, R.B. Bernstein, Total collision cross-sections for the interaction of atomic beams of alkali metals with gases J. Chem. Phys 31 (1959) 1619.
59. K.H. Illinger, C.P. Smyth, Atomic polarization. I. Vibrational polarization of gases J. Chem. Phys 32 (1960) 737.
60. K.B. Wiberg, W.A. Walters, K. Wong, S.D. Colson, Azine: vibrational force field and intensity of pyridine J. Phys. Chem. 88 (1984) 6067.
61. S.E. Kamerling, C.P. Smyth, The possibility of dipole rotation in certain crystalline solids J. Am. Chem. Soc. 55 (1933) 462.
62. M.J. Aroney, C. Cleaner, R.K. Pierens, R.J.W. LeFevre, Molecular polarizability. The anisotropy of the C-F groups J. Chem. Phys. Perkins Trans. II (1974) 3.
63. A. Chablo, A. Hinclilfe, Ab initio calculation of the dipole polarizabilities of unsaturated hydrocarbons Chem. Phys. Lett. 72 (1980) 149.
64. D. Mirarchi, G.L.D. Ritchie, Solution state conformations of 2-fluoro, 2-chloro and 2-bromo-acetophenone: a dipole moment and Kerr effect study J. Mol. Struc. 118 (1984) 303.
65. M.A. Lasheen, A.M. Abdeen, Optical anisotropies of some organic molecules Acta Cryst. A28 (1972) 245.
66. J.O. Morley, D. Pugh, Nonlinear optical properties of organic molecules. 6. Calculated polarizabilities of conjugated organic systems. J. Mol. Electron. 5 (1989) 123.
67. C.L. Cheng, D.S.N. Murthy, G.L.D. Ritchie, Molecular polarizabilities from the Cotton-Mouton effect Aust. J. Chem. 25 (1972) 1301.
68. R.J.W. LeFevre, K.M.S. Sundaram, Molecular polarizability: the molar Kerr constants, polarizations, etc. of ten polynuclear hydrocarbons as solutes in benzenes J. Chem. Soc. B (1963) 4442.
69. J.D. McKinney, K.E. Gottschalk, L. Pedersen, The polarizability of planar aromatic systems. The application to polychlorinated biphenyls (PCBs), dioxins and polyaromatic hydrocarbons J. Mol. Struc. 105 (1983) 427.
70. J. Schuyler, L. Blom, D.W. van Krevelen, The molar refraction of condensed aromatic compounds Trans. Faraday Soc. 49 (1953) 1391.
71. 3 J. Mol. Spectrosc. 96 (1983) 203.
72. W.F. Murphy, D.C. McKean, A.M. Coats, A. Kidness, N. Wilki, Raman and infrared intensities in trimethylamine species' polarizability and dipole derivatives and effective charges J. Raman Spectrosc. 26 (1995) 763.
73. M.P. Bogaard, B.J. Orr. Electric dipole polarizabilities of atoms and molecules, in: A.D. Buckingham (Ed.), Molecular Structure and Properties, International Review of Science, Physics and Chemistry Series II, vol 2, Butterworth, London, 1965.
74. W. Klemm, P. Henkel, Die brechungswermogen einiger gasformiger fluoride Z. Anorg. Allg. Chemie 213 (1933) 115.
75. 4 molecules (X = C, Si, Ge, Sn) J. Mol. Struc. 24 (1975) 73.
76. K.H. Illinger, C.P. Smyth, Atomic polarization. I. Vibrational polarization of gases J. Chem. Phys. 32 (1960) 787.
77. O. Fuchs, Temperatur und druckabhangigkeit der dielektizitatskonstante einiger organisher dampfe Z. Physik 63 (1930) 824.
78. M.M. Yakshin, V.M. Ezucherskaya, V.A. Silmenkova, The atomic polarization and the effective charge of certain tetrahalogen compounds of elements of group IV Russ. J. Inorg. Chem. 6 (1961) 1229.
79. 4 J. Chem. Phys. 69 (1978) 297.
80. H. Ratajczak, T.A. Ford, W.J. Orville Thomas, Infrared dispersion studies. 11. Band intensities and vibrational polarization of chloroform, bromoform and their deuterated analogues J. Mol. Struc. 14 (1972) 281.
81. C.H. Rendell, T.A. Ford, M. Redshaw, W.J. Orville Thomas, Infrared dispersion studies. 12. Infrared dispesion of dichloro-, dibromo- and di-iodo methane and their deuterated analogues J. Mol. Struc. 24 (1975) 187.
82. 4 molecules (X = CSi, Ge, Sn; Y = Cl, Br) Trans. Faraday Soc. 66 (1970) 2710.
83. S. Kondo, S. Sacki, Infrared absorption intensities of ethane and propane Spectrochim. Acta A 29 (1973) 735.
84. K.B. Wiberg, S.T. Waddell, R.E. Rosenberg, Infrared intensities: bicyclo[1.1.0]butane. A normal coordinate analysis and comparison with cyclopropane and [1.1.1]propellane J. Am. Chem. Soc. 112 (1990) 2184.
85. R.G. Snyder, Group moment interpretation of the infrared intensities of crystalline n-paraffins J. Chem. Phys 42 (1965) 1744.
86. C.G. LeFevre, R.J.W. LeFevre, Molecular polarizability. The C-C, C-O, C=O, C-Cl, C-Br and C-I link polarizabilities and the conformation of cyclopentane, of cyclohexyl chloride, bromide and iodide, and of cyclopentanone, cyclohexanone, cyclohexane-1:4-dione, camphor, paraldehyde and tetrahydrofuran J. Chem. Soc. (1956) 3549.
87. D.W. Langer, R.A. Montalvo, Index of refraction of isopentane and mesitylene as a function of pressure J. Chem. Phys. 49 (1968) 2836.
88. K. Tanabe, S. Saeki, Vibrational frequencies, infrared absorption intensities and energy differences between rotational isomers of propyl halides J. Mol. Struc. 27 (1975) 79.
89. T. Hogan, D. Steele, Vibrational absolute intensities in aliphatic ring systems. I. Cyclohexane Spectrochim. Acta A 41 (1985) 1047.
90. K. Tanabe, Calculation of infrared band intensities and determination of energy differences of rotational isomers of 1,2-dichloro, 1,2-dibromo and 1-chloro-2-bromoethane Spectrochim. Acta A 28 (1972) 407.
91. C.P. Smyth, W.N. Stoops, The dielectric polarization of liquids. III. The polarization of the isomer of heptane J. Am. Chem. Soc. 50 (1883) 1928.
92. x mixtures, J. Chem. Phys. 94 (1991) 2143.
93. K. Tanabe, S. Saeki, Calculation of infrared band intensities of various chlorinated ethanes, Bull. Chem. Soc. Jap. 45 (1972) 32.
94. R.F. Bader, T.A. Keith, K.M. Gough, K.E. Laidig, Properties of atoms in molecules: additivity and tranferability of group polarlzabilities Mol. Phys. 75 (1992) 1167.
95. 2n+2 (n < 8) J. Chem. Phys. 93 (1990) 7264.
96. W.B. Person, J.D.Rogers. Prediction of infrared spectra, of molecules and radicals, in: Proceedings of the NASA Workshops on Vibrational-Rotational Spectroscopy for Planetary Atmospheres (Fox and Mumma, eds.), 1981.
97. J.D. Rogers, Infrared intensities of alcohols and ethers, Ph.D thesis, University of Florida, 1980.
98. R.J.W. LeFevre, A. Sundaram, R.K. Pierens, Molecular polarizability: the anisotropy of the CO link J. Chem. Soc. (1963) 479.
99. Y. Dimitrova, D. Steele, Ab initio study of force constants and intensities of 1,3,5-trioxane Spectrochim. Acta A 47 (1991) 75.
100. J.D. Rogers, B. Rub, S. Goldmann, W.B. Person, Measurement of infrared intensities for fundamental vibrations of gaseous acetone J. Phys. Chem. 85 (1981) 3727.
101. J. Notholt, F. Cappellani, H. Roesdahl, G. Restelli, Absolute infrared intensity and air broadening coefficients for spectroscopic measurement of formic acid in air Spectrochim. Acta A 47 (1991) 477.
102. W.D. Jones, K.O. Leving, Infrared intensities and dipole derivatives of formamide in chloroform Spectrochim. Acta A 43 (1987) 1197.
103. 4 alkanenitriles and benzene Spectrochim. Acta A 46 (1990) 671.
104. J. Applequist, J.R. Carl, K.K. Fung, An atom-dipole interaction model for molecular polarizability. Application to polyatomic molecules and determination of atom polarizabilities J. Am. Chem. Soc. 94 (1972) 2952.
105. M.J. Aroney, L.E. Fischer, R.J.W. LeFevre, Molecular polarizability. Electric dipole moments and molar Kerr constants of two sulphoxides and three sulphones as solutes J. Chem. Soc. (1963) 4450.
106. 6 J. Chem. Phys. 74 (1981) 171.
107. 6 J. Chem. Phys. 85 (1986) 5524.
108. N.J. Bridge, A.D. Buckingham, The polarization of laser light scattered by gases Proc. Roy. Soc. A 295 (1966) 334.
109. 2. II. J. Chem. Phys 59 (1973) 2496.
110. M. Tachiki, Z. Sroubek, Covalency contribution to polarizabilities in ionic crystals J. Chem. Phys 48 (1968) 2383.
111. H.S. Nalwa, Organic materials for third order non linear optics, Adv. Mater. 5 (1993) 341.
112. M. Born, R. Oppenheimer, Zur quantentheorie der molekeln Ann. Physik 84 (1927) 457.
113. 8 J. Chem. Phys 96 (1992) 976.
114. F.Z. Eisenlohr, Neue berechnungen die atomrefraktionen Z. Phys. Chem. 75 (1911) 585.
115. C. P. Smyth, Refraction and electron constraint in ions and molecules Phyl. Mag. 50 (1925) 361.
116. A. Vogel, Physical properties and chemical constitution. Part XXIII. Miscellaneous compounds. Investigation of the so-called coordinate or dative link in esters of oxyacids and in nitroparaffins by molecular refractivity determinations. Atomic, structural and group parachors and refractivities J. Chem. Soc. (1948) 1833.
117. K.J. Miller, J.A. Savchik, A new empirical method to calculate average molecular polarizabilities J. Am. Chem. Soc. 101 (1979) 7206.
118. 2 Chem. Phys. Lett. 167 (1990) 105.
119. J.W. Bruhl, Die chemische constitution organischer korper in beziehung zu deren dichte und ihrem vermogen das licht fortzupflanzen Liebigs Ann. Chem. 200 (1980) 139.
120. K.E. Ladig, R.F.W. Bader, Properties of atoms in molecules: atomic polarization J. Chem. Phys. 93 (1990) 7213.
121. L. Silberstein, Molecular refractivity and atomic interaction Phil. Mag. 33 (1917) 92.
122. J.K. Nagle, Atomic polarizability and electronegativity J. Am. Chem. Soc. 112 (1990) 4741.
123. T.M. Miller, B. Bederson, Atomic and molecular polarizabilities. A review on recent advances Adv. At. Mol. Phys. 13 (1977) 1.
124. P.W. Fowler, P. Lazzeretti, R. Zanasi, Electric and magnetic properties of the aromatic sixty carbon chase Chem. Phys. Lett. 165 (1990) 79.
125. B.F. Levine, C.G. Bethea, Second and third order hyperpolarizabilities of organic molecules J. Chem. Phys. 63 (1975) 2666.
126. S.R. Marder, C.B. Gorman, F. Metyers, J.W. Perry, G. Bourhill, J.L. Bredas, B.M. Pierce, A unified description of linear and nonlinear polarization in organic polymethyne dyes Science 265 (1994) 632.
127. R.J.W. LeFevre, D.S.N. Murthy, The principal molecular polarizabilities of diphenyl Aust. J. Chem. 21 (1903) 1968.
128. R.J.W. LeFevre, L. Radom, Molecular polarizability: C-C bond polarizability in relation to bond length J. Chem. Soc. B (1967) 1295.
129. 2. A comparative study J. Chem. Soc. Faraday Trans. 81 (1985) 433.
130. J. Berkovitz, W.A. Chupka, Polymeric gaseous molecules in the vaporization of alkali halides J. Chem. Phys. 29 (1958) 653.
131. n molecules J. Mol. Struc. 303 (1994) 227.
132. B. Champagne, D.H. Mosley, J.M. André, Theoretical ab initio investigation of the dipole polarizabilities of oligothiophenes and polythiophenes J. Chem. Phys. 100 (1994) 2034.
133. B. Champagne, J.M. André, Model calculations of polarizabilities of polyene chains: oligomers and infinite polymers Int. J. Quant. Chem. 24 (1990) 859.
134. B. Kirtman, M. Hasan, Ab initio longitudinal polarizabilities and hyperpolarizabilities of polydiacetylene and polybutatriene oligomers Chem. Phys. Lett. 157 (1989) 123.
135. E.F. Archibong, A.J. Thakkar, Chain length dependence of static longitudinal polarizabilities and hyperpolarizabilities of linear polyines J. Chem. Phys. 98 (1993) 8324.
136. L.Z. Ebert, Zur bedeutung der dielektrischen polarisation in reinen stoffen und mischungen Physik. Chem. 113 (1924) 1.
137. K.H. Illlnger, C.P. Smyth, Atomic polarization. II. Vibrational polarization of liquids J. Chem. Phys. 35 (1961) 392.
138. M.T. Zhao, B.P. Singh, P.M. Prasad, A systematic study of polarizability and microscopic third-order optical nonlinearity in thiophene olygomers J. Chem. Phys 89 (1988) 5535.
139. B. Crawford, Vibrational intensities. II. The use of isotopes J. Chem. Phys. 20 (1952) 977.
140. E.B. Wilson, J.C. Decius, P.C. Cross. Molecular Vibrations, McGraw Hill, New York, 1955.
141. S. Califano. Vibrational States. Wiley, New York, 1976.
142. M. Gussoni, S. Abbate, Infrared absorption intensities. Transferability of electrooptical parameters, J. Chem. Phys. 65 (1976) 3439.
143. B. Schurin, R.E. Ellis, First and second overtone intensity measurements for CO and NO J. Chem. Phys. 45 (1966) 2528.
144. K.H. Illinger, C.P. Smyth, Atomic polarization. III. Vibrational polarization terms associated with forbidden transitions in polyatomic molecules J. Chem. Phys. 35 (1961) 397.
145. I.E. Coop, L.E. Sutton, Measurement of electric polarization of the vapours of some substances having anomalous dipole moments and their bearing on the theory of atom polarization J. Chem. Soc. (1938) 1269.
146. W. Kauzmann, Quantum Chemistry, Academic Press, New York, 1957.
147. P.W. Atkins, Molecular quantum mechanics, Oxford University Press, 1983.
148. L. Solymar, D. Walsh. Leclures on the electrical properties of materials, Oxford University Press, Oxford, 1970.
149. M. del Zoppo, C. Castiglioni, G. Zerbi, Response to the Comment by D.M. Bishop on 'Nonlinear optical response to strong applied electromagnetic fields in polyconjugated materials' by M. Del Zoppo et al. Synth. Metals 68 (1995) 295.
150. J.C. Decius, An effective atomic charge model for infrared intensities J. Mol. Spectroscopy 57 (1975) 348.
151. J.C. Decius, G.B. Mast, Atomic polar tensors and the effective charge-charge flux model of infrared intensities J. Mol. Spectroscopy 70 (1978) 294.
152. J.F. Biarge, J. Herranz, J. Morcillo, On the interpretation of infrared intensities in gases An. Fiz. y Quim. 157 (1961) 81.
153. W.B. Person, J.H. Newton, Dipole moment derivatives and infrared intensities. I. Polar tensors J. Chem. Phys. 61 (1974) 1040.
154. A.J. vanStraten, W.M. Smit, Bond charge parameters from integrated infrared intensities J. Mol. Struct. 62 (1976) 297.
155. L.A. Gribov, The valency-optics theory of intensities in the electron-vibrational spectra of polyatomic molecules J. Mol. Struct. 110 (1984) 61.
156. M. Gussoni, C. Castiglioni, G. Zerbi, Physical meaning of electrooptical parameters derived from infrared intensities J. Phys. Chem. 88 (1984) 600.
157. W.T. King, Effective atomic changes, in: W.B. Person, G. Zerbi (Eds), Vibrational Intensities, Elsevier, Amsterdam, 1982.
158. A.J. vanStraten, W.M. Smit, Relationships between the intensity formulations. Application to ammonia and phosphine J. Mol. Spectrosc. 65 (1977) 202.
159. B. Szigeti, Polarizability and dielectric constant of ionic crystals Trans. Faraday Soc. 45 (1949) 155.
160. R.P. Lowndes, D.H. Martin, Dielectric dispersion and the structure of ionic lattices Proc. Roy. Soc. A 308 (1969) 473.
161. P. Drude, The Theory of Optics, New York, Dover, 1959.
162. S. Abbate, M. Gussoni, Infrared absorption intensities. Symmetry considerations on the electrooptical parameters J. Mol. Spectroscopy 66 (1977) 1.
163. P. Jona, M. Gussoni, G. Zerbi, Interpretation of infrared intensities of ethylene by parametric methods J. Chem. Phys 75 (1981) 1665.
164. U. Dinur, On the interpretation of infrared intensities in planar molecular systems Chem. Phys. Lett. 166 (1990) 211.
165. 2, Spectrochim. Acta 20 (1964) 771.
166. + J. Chem. Phys. 72 (1980) 5125.
167. H. Torii, M. Tasumi, Infrared intensities of vibrational modes of n α-helical polypeptide: calculations based on the equilibrium charge-charge flux (ECCF) model J. Mol. Struct. 300 (1993) 171.
168. B. Champagne, E.A. Perpete, J.M. André, Vibrational polarizability of polyacetylene chains J. Chem. Phys. 101 (1994) 10796.
169. B. Champagne, E.A. Perpete, J.M. André, B. Kirtman, Vibrational polarizability of all-trans polyethylene and polysilane J. Chem. Soc. Faraday Trans. 91 (1955) 1641.
170. M. Gussoni, C. Castiglioni, M. Miragoli, G. Lugli, G. Zerbi, Derivation of charge distribution from infrared intensities, the case of polyacetylene Spectrochim. Acta A 41 (1985) 37.
171. M. Gussoni, C. Castiglioni, G. Zerbi, Vibrational spectroscopy of polyconjugated materials: polyacetylene and polyenes, in: R.J.H. Clark, R.E. Hester (Eds), Spectroscopy of Advanced Materials, Wiley, London, 1991.