Conformational analysis of the biphenyl moiety of dimer liquid crystals in the solid state by high-resolution solid-state 13C NMR and ab initio GIAO-CHF calculations

Magnetic Resonance in Chemistry

Volumn 37, Issue 7, 1999, Pages 479-483

  Shimizu, Renato Norio ^a   Kurosu, Hiromichi ^a   Ando, Isao ^a   Abe, Akihiro ^b   Furuya, Hidemine ^a  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^b TOKYO POLYTECHNIC UNIVERSITY   (Japan)

Author keywords

13C nuclear shielding; Ab initio GIAO CHF; Conformation of biphenyl; Dimer liquid crystals; High resolution solid state 13C NMR; NMR

Indexed keywords

CHLORINE COMPOUNDS; LIQUID CRYSTALS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; TORSIONAL STRESS;

13C NUCLEAR SHIELDING; AB INITIO; AB INITIO GIAO-CHF; BIPHENYL MOIETY; CONFORMATION OF BIPHENYL; DIMER LIQUID CRYSTAL; HIGH RESOLUTION; HIGH-RESOLUTION SOLID-STATE 13C NMR; LIQUID-CRYSTALS; NUCLEAR SHIELDING;

CONFORMATIONS;

EID: 0033163991     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-458x(199907)37:7<479::aid-mrc482>3.0.co;2-j     Document Type: Article

References (26)

1. 1. A. Sirigu, in Liquid Crystallinity in Polymers - Principles and Fundamental Properties, edited by A. Ciferri, Chapt. 7. VCH, New York (1991).
2. 2. G. Häfelinger and C. Regelmann, J. Comput. Chem. 6, 368 (1985).
3. 3. M. Akiyama, T. Watanabe and M. Kakihana, J. Phys. Chem. 90, 1752 (1986).
4. 4. J. W. Emsley, T. J. Home, G. Celebre, G. De Luca and M. Longeri, J. Chem. Soc., Faraday Trans. 88, 1679 (1992).
5. 5. R. M. G. Roberts, Magn. Reson. Chem. 23, 52 (1985).
6. 6. A. M. Chippendale, R. S. Aujla, R. K. Harris, K. J. Packer and S. Purser, Magn. Reson. Chem. 24, 81 (1986).
7. 7. P. Meurisse, F. Laupretre and C. Noël, Mol. Cryst. Liq. Cryst. 110, 41 (1984).
8. 8. L. Malpezzi, S. Brückner, E. Galbiati and G. R. Luckhurst, Mol. Cryst. Liq. Cryst. 195, 179 (1991).
9. 9. H. Kurosu, G. A. Webb and I. Ando, Magn. Reson. Chem., 30, 1122 (1992).
10. 10. H. Kurosu, I. Ando and G. A. Webb, Magn. Reson. Chem. 31, 399 (1993).
11. 11. A. Abe, R. N. Shimizu and H. Furuya, in Ordering in Macromolecular Systems, edited by A. Teramoto, M. Kobayashi and T. Norisuye, p. 139. Springer, Berlin (1994); A. Abe, H. Furuya, R. N. Shimizu and S. Y. Nam, Macromolecules 28, 96 (1995).
12. 11. A. Abe, R. N. Shimizu and H. Furuya, in Ordering in Macromolecular Systems, edited by A. Teramoto, M. Kobayashi and T. Norisuye, p. 139. Springer, Berlin (1994); A. Abe, H. Furuya, R. N. Shimizu and S. Y. Nam, Macromolecules 28, 96 (1995).
13. 12. W. T. Dixon, J. Chem. Phys. 77, 1800 (1982).
14. 13. C.-D. Poon, J. Afzal, M. Gangoda and B. M. Fung, Magn. Reson. Chem. 24, (1986) 1014; J. S. Lewis, E. Tomchuk and E. Bock, Mol. Cryst. Liq. Cryst. 198, 191 (1991).
15. 13. C.-D. Poon, J. Afzal, M. Gangoda and B. M. Fung, Magn. Reson. Chem. 24, (1986) 1014; J. S. Lewis, E. Tomchuk and E. Bock, Mol. Cryst. Liq. Cryst. 198, 191 (1991).
16. 14. R. N. Shimizu, H. Kurosu, I. Ando, A. Abe, H. Furuya and S. Kuroki, Polym. J. 29, 598 (1997).
17. 15. A. Abe, Macromolecules 17, 2280 (1984); A. Abe and H. Furuya, Macromolecules 22, 2982 (1989); H. Furuya and A. Abe, Polym. Bull. 20, 467 (1988); A. Abe and H. Furuya, Kobunshi Ronbunshu 5, 247 (1986); H. Furuya, K. Asahi and A. Abe, Polym. J., 18, 779 (1986); A. Abe and H. Furuya, Polym. Bull., 19, 403 (1988); A. Abe, H. Furuya and D. Y. Yoon, Mol. Cryst. Liq. Cryst. 159, 151 (1988); A. C. Griffin, S. R. Vaidya, R. S. L. Hung and S. Gorman, Mol. Cryst. Liq. Cryst. (Lett.) 1, 139 (1985); J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Cryst. Liq. Cryst. (Lett.) 102, 223 (1984; J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Phys. 53, 1023 (1984).
18. 15. A. Abe, Macromolecules 17, 2280 (1984); A. Abe and H. Furuya, Macromolecules 22, 2982 (1989); H. Furuya and A. Abe, Polym. Bull. 20, 467 (1988); A. Abe and H. Furuya, Kobunshi Ronbunshu 5, 247 (1986); H. Furuya, K. Asahi and A. Abe, Polym. J., 18, 779 (1986); A. Abe and H. Furuya, Polym. Bull., 19, 403 (1988); A. Abe, H. Furuya and D. Y. Yoon, Mol. Cryst. Liq. Cryst. 159, 151 (1988); A. C. Griffin, S. R. Vaidya, R. S. L. Hung and S. Gorman, Mol. Cryst. Liq. Cryst. (Lett.) 1, 139 (1985); J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Cryst. Liq. Cryst. (Lett.) 102, 223 (1984; J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Phys. 53, 1023 (1984).
19. 15. A. Abe, Macromolecules 17, 2280 (1984); A. Abe and H. Furuya, Macromolecules 22, 2982 (1989); H. Furuya and A. Abe, Polym. Bull. 20, 467 (1988); A. Abe and H. Furuya, Kobunshi Ronbunshu 5, 247 (1986); H. Furuya, K. Asahi and A. Abe, Polym. J., 18, 779 (1986); A. Abe and H. Furuya, Polym. Bull., 19, 403 (1988); A. Abe, H. Furuya and D. Y. Yoon, Mol. Cryst. Liq. Cryst. 159, 151 (1988); A. C. Griffin, S. R. Vaidya, R. S. L. Hung and S. Gorman, Mol. Cryst. Liq. Cryst. (Lett.) 1, 139 (1985); J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Cryst. Liq. Cryst. (Lett.) 102, 223 (1984; J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Phys. 53, 1023 (1984).
20. 15. A. Abe, Macromolecules 17, 2280 (1984); A. Abe and H. Furuya, Macromolecules 22, 2982 (1989); H. Furuya and A. Abe, Polym. Bull. 20, 467 (1988); A. Abe and H. Furuya, Kobunshi Ronbunshu 5, 247 (1986); H. Furuya, K. Asahi and A. Abe, Polym. J., 18, 779 (1986); A. Abe and H. Furuya, Polym. Bull., 19, 403 (1988); A. Abe, H. Furuya and D. Y. Yoon, Mol. Cryst. Liq. Cryst. 159, 151 (1988); A. C. Griffin, S. R. Vaidya, R. S. L. Hung and S. Gorman, Mol. Cryst. Liq. Cryst. (Lett.) 1, 139 (1985); J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Cryst. Liq. Cryst. (Lett.) 102, 223 (1984; J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Phys. 53, 1023 (1984).
21. 15. A. Abe, Macromolecules 17, 2280 (1984); A. Abe and H. Furuya, Macromolecules 22, 2982 (1989); H. Furuya and A. Abe, Polym. Bull. 20, 467 (1988); A. Abe and H. Furuya, Kobunshi Ronbunshu 5, 247 (1986); H. Furuya, K. Asahi and A. Abe, Polym. J., 18, 779 (1986); A. Abe and H. Furuya, Polym. Bull., 19, 403 (1988); A. Abe, H. Furuya and D. Y. Yoon, Mol. Cryst. Liq. Cryst. 159, 151 (1988); A. C. Griffin, S. R. Vaidya, R. S. L. Hung and S. Gorman, Mol. Cryst. Liq. Cryst. (Lett.) 1, 139 (1985); J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Cryst. Liq. Cryst. (Lett.) 102, 223 (1984; J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Phys. 53, 1023 (1984).
22. 15. A. Abe, Macromolecules 17, 2280 (1984); A. Abe and H. Furuya, Macromolecules 22, 2982 (1989); H. Furuya and A. Abe, Polym. Bull. 20, 467 (1988); A. Abe and H. Furuya, Kobunshi Ronbunshu 5, 247 (1986); H. Furuya, K. Asahi and A. Abe, Polym. J., 18, 779 (1986); A. Abe and H. Furuya, Polym. Bull., 19, 403 (1988); A. Abe, H. Furuya and D. Y. Yoon, Mol. Cryst. Liq. Cryst. 159, 151 (1988); A. C. Griffin, S. R. Vaidya, R. S. L. Hung and S. Gorman, Mol. Cryst. Liq. Cryst. (Lett.) 1, 139 (1985); J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Cryst. Liq. Cryst. (Lett.) 102, 223 (1984; J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Phys. 53, 1023 (1984).
23. 15. A. Abe, Macromolecules 17, 2280 (1984); A. Abe and H. Furuya, Macromolecules 22, 2982 (1989); H. Furuya and A. Abe, Polym. Bull. 20, 467 (1988); A. Abe and H. Furuya, Kobunshi Ronbunshu 5, 247 (1986); H. Furuya, K. Asahi and A. Abe, Polym. J., 18, 779 (1986); A. Abe and H. Furuya, Polym. Bull., 19, 403 (1988); A. Abe, H. Furuya and D. Y. Yoon, Mol. Cryst. Liq. Cryst. 159, 151 (1988); A. C. Griffin, S. R. Vaidya, R. S. L. Hung and S. Gorman, Mol. Cryst. Liq. Cryst. (Lett.) 1, 139 (1985); J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Cryst. Liq. Cryst. (Lett.) 102, 223 (1984; J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Phys. 53, 1023 (1984).
24. 15. A. Abe, Macromolecules 17, 2280 (1984); A. Abe and H. Furuya, Macromolecules 22, 2982 (1989); H. Furuya and A. Abe, Polym. Bull. 20, 467 (1988); A. Abe and H. Furuya, Kobunshi Ronbunshu 5, 247 (1986); H. Furuya, K. Asahi and A. Abe, Polym. J., 18, 779 (1986); A. Abe and H. Furuya, Polym. Bull., 19, 403 (1988); A. Abe, H. Furuya and D. Y. Yoon, Mol. Cryst. Liq. Cryst. 159, 151 (1988); A. C. Griffin, S. R. Vaidya, R. S. L. Hung and S. Gorman, Mol. Cryst. Liq. Cryst. (Lett.) 1, 139 (1985); J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Cryst. Liq. Cryst. (Lett.) 102, 223 (1984; J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Phys. 53, 1023 (1984).
25. 15. A. Abe, Macromolecules 17, 2280 (1984); A. Abe and H. Furuya, Macromolecules 22, 2982 (1989); H. Furuya and A. Abe, Polym. Bull. 20, 467 (1988); A. Abe and H. Furuya, Kobunshi Ronbunshu 5, 247 (1986); H. Furuya, K. Asahi and A. Abe, Polym. J., 18, 779 (1986); A. Abe and H. Furuya, Polym. Bull., 19, 403 (1988); A. Abe, H. Furuya and D. Y. Yoon, Mol. Cryst. Liq. Cryst. 159, 151 (1988); A. C. Griffin, S. R. Vaidya, R. S. L. Hung and S. Gorman, Mol. Cryst. Liq. Cryst. (Lett.) 1, 139 (1985); J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Cryst. Liq. Cryst. (Lett.) 102, 223 (1984; J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Phys. 53, 1023 (1984).
26. 15. A. Abe, Macromolecules 17, 2280 (1984); A. Abe and H. Furuya, Macromolecules 22, 2982 (1989); H. Furuya and A. Abe, Polym. Bull. 20, 467 (1988); A. Abe and H. Furuya, Kobunshi Ronbunshu 5, 247 (1986); H. Furuya, K. Asahi and A. Abe, Polym. J., 18, 779 (1986); A. Abe and H. Furuya, Polym. Bull., 19, 403 (1988); A. Abe, H. Furuya and D. Y. Yoon, Mol. Cryst. Liq. Cryst. 159, 151 (1988); A. C. Griffin, S. R. Vaidya, R. S. L. Hung and S. Gorman, Mol. Cryst. Liq. Cryst. (Lett.) 1, 139 (1985); J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Cryst. Liq. Cryst. (Lett.) 102, 223 (1984; J. W. Emsley, G. R. Luckhurst and G. N. Shilstone, Mol. Phys. 53, 1023 (1984).