Conformation and dynamics of atactic poly(acrylonitrile). 1. Trans/gauche ratio from double-quantum solid-state 13C NMR of the methylene groups

Macromolecules

Volumn 33, Issue 14, 2000, Pages 5169-5180

  Kaji, Hironori ^a,c   Schmidt Rohr, Klaus ^a,b  

^a UNIVERSITY OF MASSACHUSETTS   (United States)

^b IOWA STATE UNIVERSITY   (United States)

^c KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CONFORMATIONS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBES; X RAY DIFFRACTION ANALYSIS;

ATACTIC POLYACRYLONITRILE; CHEMICAL SHIFT ANISOTROPIES; MAGIC ANGLE SPINNING;

NITRILE RESINS;

EID: 0034230089     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma0002592     Document Type: Article

References (93)

1. Tadokoro, H. Structure of Crystalline Polymers; J. Wiley & Sons: New York, 1979.
2. Schaefer, J. Macromolecules 1971, 4, 105.
3. Kamide, K.; Yamazaki, H.; Okajiama, K.; Hikichi, K. Polym. J. 1985, 17, 1291.
4. Kamide, K.; Yamazaki, H.; Okajiama, K.; Hikichi, K. Polym. J. 1985, 17, 1233.
5. Some atactic vinyl polymers with small side groups, such as atactic polypropylene, cannot crystallize.
6. Natta, G.; Mazzanti, G.; Corradini, P. Atti Accad. Naz. Lincei, Cl. Sci. Fis., Mat. Nat., Rend. 1958, 25, 3.
7. Krigbaum, W. R.; Tokita, N. J. Polym. Sci. 1960, 43, 467.
8. Stefani, R.; Chevreton, M.; Garnier, M.; Eyraud, C. Compt. Rend. 1960, 251, 2174.
9. Bohn, C. R.; Schaefgen, J. R.; Statton, W. O. J. Polym. Sci. 1961, 55, 531.
10. Holland, V. F.; Mitchell, S. B.; Hunter, W. L.; Lindenmeyer, P. H. J. Polym. Sci. 1962, 62, 145.
11. Lindenmeyer, P. H.; Hosemann, R. J. Appl. Phys. 1963, 34, 42.
12. Klement, J. J.; Geil, P. H. J. Polym. Sci., Polym. Phys. Ed. 1968, 6, 1381.
13. Colvin, B. G.; Storr, P. Eur. Polym. J. 1974, 10, 337.
14. Henrici-Olive, G.; Olive, S. Adv. Polym. Sci. 1979, 32, 125.
15. Hinrichsen, G.; Orth, H. Kolloid-Z. Z. Polym. 1971, 247, 844.
16. Gupta, A. K.; Chand, N. Eur. Polym. J. 1979, 15, 899.
17. Gupta, A. K.; Singhal, R. P.; Agarwal, V. K. Polymer 1981, 22, 285.
18. Grobelny, J.; Tekely, P.; Turska, E. Polymer 1981, 22, 1649.
19. Gupta, A. K.; Maiti, A. K. J. Appl. Polym. Sci. 1982, 27, 2409.
20. Liu, X. D.; Ruland, W. Macromolecules 1993, 26, 3030.
21. Hobson, R. J.; Windle, A. H. Polymer 1993, 34, 3582.
22. Hobson, R. J.; Windle, A. H. Macromolecules 1993, 26, 6903.
23. Mathieu, D.; Defranceschi, M.; Lecayon, G.; Grand, A.; Delhalle, J. Chem. Phys. 1993, 171, 133.
24. Mathieu, D.; Defranceschi, M.; Lecayon, G.; Delhalle, J. Chem. Phys. 1994, 188, 183.
25. Bashir, Z. J. Polym. Sci., Part B: Polym. Phys. 1994, 32, 1115.
26. Allen, R. A.; Ward, I. M.; Bashir, Z. Polymer 1994, 35, 2063.
27. Allen, R. A.; Ward, I. M.; Bashir, Z. Polymer 1994, 35, 4035.
28. Rizzo, P.; Auriemma, F.; Guerra, G.; Petraccone, V.; Corradini, P. Macromolecules 1996, 29, 8852.
29. Yamane, A.; Sawai, D.; Kameda, T.; Kanamoto, T.; Ito, M.; Porter, R. S. Macromolecules 1997, 30, 4170.
30. Sawai, D.; Kanamoto, T.; Porter, R. S. Macromolecules 1998, 31, 2010.
31. Sawai, D.; Yamane, A.; Takahashi, H.; Kanamoto, T.; Ito, M.; Porter, R. S. J. Polym. Sci., Part B: Polym. Phys. 1998, 36, 629.
32. Stefani, R.; Chevreton, M.; Terrier, J.; Eyraud, C. Compt. Rend. 1959, 248, 2006.
33. Chiang, J. J. Polym. Sci., Part A 1963, 1, 2765.
34. Chiang, J. J. Polym. Sci., Part A 1965, 3, 2109.
35. Hinrichsen, G. J. Polym. Sci. 1972, C38, 303.
36. Gupta, A. K.; Singhal, R. P. J. Polym. Sci., Polym. Phys. Ed. 1983, 21, 2243.
37. Edzes, H. T.; Bernards, J. P. C. J. Am. Chem. Soc. 1984, 106, 1515.
38. Henrichs, P. M.; Linder, M. J. Magn. Reson. 1984, 58, 458.
39. Tycko, R.; Dabbagh, G. J. Am. Chem. Soc. 1991, 113, 3592.
40. Robyr, P.; Meier, B. H.; Ernst, R. R. Chem. Phys. Lett. 1991, 157, 471.
41. Robyr, P.; Meier, B. H.; Fischer, P.; Ernst, R. R. J. Am. Chem. Soc. 1994, 116, 5315.
42. Dabbagh, G.; Weliky, D. P.; Tycko, R. Macromolecules 1994, 27, 6183.
43. Robyr, P.; Tomaselli, M.; Grob-Pisano, C.; Meier, B. H.; Ernst, R. R.; Suter, U. W. Macromolecules 1995, 28, 5320.
44. Robyr, P.; Tomaselli, M.; Straka, J.; Grob-Pisano, C.; Suter, U. W.; Meier, B. H.; Ernst, R. R. Mol. Phys. 1995, 84, 995.
45. Kummerlen, J.; van Beek, J. D.; Vollrath, F.; Meier, B. H. Macromolecules 1996, 29, 2920.
46. Robyr, P.; Utz, M.; Gan, Z.; Scheurer, C.; Tomaselli, M.; Suter, U. W.; Ernst, R. R. Macromolecules 1998, 31, 5818.
47. Robyr, P.; Gan, Z.; Suter, U. W. Macromolecules 1998, 31, 8918.
48. Robyr, P.; Gan, Z.; Suter, U. W. Macromolecules 1998, 31, 6199.
49. Robyr, P.; Gan, Z. J. Magn. Reson. 1998, 131, 254.
50. Kaji, H.; Horii, F. J. Chem. Phys. 1998, 109, 4651.
51. Schmidt-Rohr, K. Macromolecules 1996, 29, 3975.
52. Schmidt-Rohr, K. J. Am. Chem. Soc. 1996, 118, 7601.
53. Schmidt-Rohr, K. J. Magn. Reson. 1998, 131, 209.
54. Schmidt-Rohr, K.; Hu, W.; Zumbulyadis, N. Science 1998, 280, 714.
55. Dunbar, M. G.; Novak, B. M.; Schmidt-Rohr, K. Solid State Nucl. Magn. Reson. 1998, 12, 119.
56. Utz, M. J. Chem. Phys. 1998, 109, 6110.
57. Harris, D. J.; Bonagamba, T. J.; Schmidt-Rohr, K. Macromolecules 1999, 32, 6718.
58. Kaji, H.; Schmidt-Rohr, K., to be submitted to Macromolecules.
59. Wilkinson, W. K. Macromolecular Syntheses; John Wiley & Sons: New York, 1977; Vol. 1.
60. Brandrup, J.; Immergut, E. H. Polymer Handbook; John Wiley & Sons: New York, 1989.
61. Shibukawa, T.; Sone, M.; Uchida, A.; Iwahori, K. J. Polym. Sci., Part A-1 1968, 6, 147.
62. Dunbar, M. G.; Kaji, H.; de Azevedo, E. R.; Bonagamba, T. J.; Schmidt-Rohr, K., to be submitted to Macromolecules.
63. Kaji, H.; Schmidt-Rohr, K., to be submitted to Macromolecules.
64. Haeberlen, U. High-Resolution NMR in Solids; Academic Press: New York, 1976; Vol. 1.
65. Mehring, M. Principle of High-Resolution NMR in Solids, 2nd ed.; Springer: Berlin, 1984.
66. Linder, M.; Hohener, A.; Ernst, R. R. J. Chem. Phys. 1980, 73, 4959.
67. Terao, T.; Miura, H.; Saika, A. J. Chem. Phys. 1986, 85, 3816.
68. Nakai, T.; Ashida, J.; Terao, T. J. Chem. Phys. 1988, 88, 6049.
69. Schmidt-Rohr, K.; Wilhelm, M.; Johansson, A.; Spiess, H. W. Magn. Reson. Chem. 1993, 31, 352.
70. Schmidt-Rohr, K.; Spiess, H. W. Multidimensional Solid-State NMR and Polymers; Academic Press: London, 1994.
71. Kaji, H.; Schmidt-Rohr, K., submitted to Appl. Magn. Reson.
72. IUPAC Commission on Macromolecular Nomenclature. Pure Appl. Chem. 1980, 53, 733.
73. Flory, P. J.; Fujiwara, Y. Macromolecules 1969, 2, 315.
74. Flory, P. J.; Jackson, J. G.; Wood, C. J. Statistical Mechanics of Chain Molecules, 2nd ed.; Oxford University Press: New York, 1989.
75. Mattice, W. L.; Suter, U. W. Conformational Theory of Large Molecules: The Rotational Isomeric State Model in Macromolecular Systems; Wiley: New York, 1994.
76. Ernst, R. R.; Bodenhausen, G.; Wokaun, A. Principles of Nuclear Magnetic Resonance in One and Two Dimensions; Clarendon Press: Oxford, 1987.
77. VanderHart, D. L. J. Chem. Phys. 1976, 64, 830.
78. Opella, S. J.; Waugh, J. S. J. Chem. Phys. 1977, 66, 4919.
79. Tomaselli, M.; Robyr, P.; Meier, B. H.; Grob-Pisano, C.; Ernst, R. R.; Suter, U. W. Mol. Phys. 1996, 89, 1663.
80. Tomaselli, M.; Zehnder, M. M.; Robyr, P.; Grob-Pisano, C.; Ernst, R. R.; Suter, U. W. Macromolecules 1997, 30, 3579.
81. b. Details of the relation between 2D DQ and 2D CSA spin diffusion experiments are described in ref 53.
82. Nakai, T.; McDowell, C. A. Mol. Phys. 1993, 79, 965.
83. Bovey, F. A. Chain Structure and Conformation of Macromolecules; Academic Press: New York, 1982.
84. Tonelli, A. E. NMR Spectroscopy and Polymer Microstructure: The Conformational Connection; VCH Publishers: New York, 1989.
85. Zemke, K.; Schmidt-Rohr, K.; Spiess, H. W. Acta Polym. 1994, 45, 148.
86. Ishida, H.; Kaji, H.; Horii, F. Macromolecules 1997, 30, 5799.
87. 13C NMR spectra of Amorphous Polymers; Spring Verlag: Berlin, 1997; Vol. 35.
88. To incorporate 16.6% of protons in special pairs, all the iso- and heterotactic triads should take their proposed special conformations; -*-T-G-G-T- for iso- and -*-T-G-G-G-for heterotactic triads. This leads to at least 33.3% of gauche.
89. Smith, J. B.; Manuel, A. J.; Ward, I. M. Polymer 1975, 16, 57.
90. Thomsen, T.; Zachmann, H. G.; Korte, S. Macromolecules 1992, 25, 6934.
91. Schilling, F. C.; Gomez, M. A.; Tonelli, A. E.; Bovey, F. A.; Woodward, A. E. Macromolecules 1987, 20, 2954.
92. Rosenbaum, S. J. Appl. Polym. Sci. 1965, 9, 2071, 2085.
93. Ando, I.; Yamanobe, T.; Akiyama, S.; Komoto, T.; Sato, H.; Fujito, T.; Deguchi, K.; Imanari, M. Solid State Commun. 1987, 62, 785.