Theoretical study on mesogenic core structures of nematic liquid crystalline compounds

Journal of Physical Chemistry B

Volumn 109, Issue 28, 2005, Pages 13493-13498

  Matsushita, Takeshi ^a,b   Koseki, Shiro ^a  

^a Osaka Prefecture University   (Japan)

^b CHISSO CORPORATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROSTATIC ENERGY; ENERGY DISPERSION; LIQUID CRYSTALLINE COMPOUNDS; MESOGENIC CORE STRUCTURES;

COMPUTATIONAL GEOMETRY; DISPERSIONS; ELECTROSTATICS; LINEAR SYSTEMS; MOLECULAR STRUCTURE; POLARIZATION; VISCOSITY;

NEMATIC LIQUID CRYSTALS;

ANISOTROPY; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CONFORMATION; CRYSTALLIZATION; DIMERIZATION; ELECTRICITY; LIQUID CRYSTAL; METHODOLOGY; PHYSICAL CHEMISTRY; STATIC ELECTRICITY; TEMPERATURE; THERMODYNAMICS;

ANISOTROPY; CHEMISTRY, PHYSICAL; CRYSTALLIZATION; DIMERIZATION; ELECTROSTATICS; LIQUID CRYSTALS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; STATIC ELECTRICITY; TEMPERATURE; THERMODYNAMICS;

EID: 23144432073     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050959e     Document Type: Article

References (46)

1. Lehn, J. M. Angew. Chem., Int. Ed. Engl. 1990, 29, 1304.
2. Hunter, C. A.; Sanders, J. K. M. J. Am. Chem. Soc. 1990, 112, 552.
3. Seminario, J. M.; Zacarias, A. G.; Rour, J. M. J. Am. Chem. Soc. 1998, 120, 3970.
4. Castro, R.; Berardi, M. J.; Córdova, E.; Olza, M. O.; Kaifer, A. E.; Evanseck, J. D. J. Am. Chem. Soc. 1996, 118, 10257.
5. Amovilli, C.; Cacelli, I.; Campanile, S.; Prampolini, G. J. Chem. Phys. 2002, 117, 3003.
6. Hunter, C. A.; Lawson, K. R.; Perkins, J.; Urch, C. J. J. Chem. Soc., Perkin Trans. 2 2001, 651.
7. Tarumi, K.; Bremer, M.; Geelhaar, T. Annu. Rev. Mater. Sci. 1997, 27, 423.
8. Kirsch, P.; Bremer, M. Angew. Chem., Int. Ed. 2000, 39, 4216.
9. Kirsch, P.; Bremer, M.; Taugerbeck, A.; Wallmichrath, T. Angew. Chem., Int. Ed. 2001, 40, 1480.
10. Madhusadana, N. V. Mol. Cryst., Liq. Ctyst. 1980, 59, 117.
11. Bremer, M.; Tarumi, K. Adv. Mater. 1993, 5, 842.
12. Vuks, M. F. Opt. Spectrosc. 1966, 20, 361.
13. Maier, W.; Meier, G. Z. Naturforsch. 1961, 16a, 262.
14. Klasen, M.; Bremer, M.; Götz, A.; Nanabe, A.; Naemura, S.; Tarumi, K. Jpn. J. Appl. Phys. 1998, 37, L945.
15. Sinnokrot, M. O.; Valeev, E. F.; Sherrill, C. D. J. Am. Chem. Soc. 2002, 124, 10887.
16. Ribas, J.; Cubero, E.; Luque, F. J.; Orozco, M. J. Org. Chem. 2002, 67, 7057.
17. Qûinonero, D.; Garau, C.; Rotger, C.; Frontera, A.; Balleser, P.; Costa, A.; Deyâ, P. M. Angew. Chem., Int. Ed. 2002, 41, 3389.
18. Vacek, J.; Hobza, P. Int. J. Quantum Chem. 1996, 57, 551.
19. Chipot, C.; Jaffe, R.; Maigret, B.; Pearlman, D. A.; Kollman, P. A. J. Am. Chem. Soc. 1996, 118, 11217.
20. Mendizabal, F. Int. J. Quantum Chem. 1999, 73, 317.
21. Tsuzuki, S.; Honda, K.; Azumi, R. J. Am. Chem. Soc. 2002, 124, 12200.
22. Hobza, P.; Selzle, H. L.; Schlag, E. W. J. Am. Chem. Soc. 1994, 116, 3500.
23. Tsuzuki, S.; Honda, K.; Uchimaru, T.; Mikami, M.; Tanabe, K. J. Am. Chem. Soc. 2002, 124, 104.
24. Møller, C.; Plesset, M. S. Phys. Rev. 1934, 46, 618.
25. Head-Gordon, M.; Pople, J. A.; Frisch, M. J. Chem. Phys. Lett. 1988, 153, 503.
26. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
27. Ransil, B. J. J. Chem. Phys. 1961, 34, 2109.
28. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S.; Windus, T. L.; Dupuis, M.; Montgomery, J. A., Jr. J. Comput. Chem. 1993, 14, 1347.
29. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98; Revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
30. Gray, G. W.; Harrison, K. J.; Nash, J. A. Electron. Lett. 1973, 9, 130.
31. Tsuzuki, S.; Uchimaru, T.; Mikami, M.; Tanabe, K. J. Phys. Chem. A 1998, 102, 2091.
32. Tsuzuki, S.; Uchimaru, T.; Mikami, M.; Tanabe, K. Chem. Phys. Lett. 1996, 252, 206.
33. Stone, A. J. The theory of intermolecular forces; Clarendon Press: Oxford, UK, 1996.
34. Sinton, S.; Pines, A. Chem. Phys. Lett. 1980, 76, 263.
35. Almenningen, A.; Bastiansen, O.; Femholt, L.; Cyvin, B. N.; Cyvin, S. J.; Samdal, S. J. Mol. Struct. (THEOCHEM) 1985, 128, 59.
36. Charbonneau, G.-P.; Delugeard, Y. Acta Crystallogr. B 1976, 32, 1420.
37. Adams, R.; Yuan, H. Chem. Rev. 1933, 12, 261.
38. d'Annible, A.; Lunazzi, L.; Boicelli, A. C.; Macciantelli, D. J. Chem. Soc., Perkin Trans. 2 1973, 1396.
39. Cailleau, H.; Girard, A.; Moussa, F.; Zeyen, C. M. E. Solid State Commun. 1979, 29, 259.
40. Dunmur, D. A.; Tomes, A. E. Mol. Cryst. Liq. Cryst. 1983, 97, 241.
41. Petrov, V. F. Liq. Cryst. 1995, 19, 729.
42. Erickesn, J. L. Trans. Soc. Rheol. 1961, 5, 23.
43. Leslie, F. M. Arch. Ration. Mech. Anal. 1968, 28, 265.
44. Raviol, A.; Stille, W.; Strobl, G. J. Chem. Phys. 1995, 103, 3788.
45. Muramatsu, H.; Ohmi, S.; Hara, K. Jpn. J. Appl. Phys. 1985, 24, 1583.
46. Matsui, S.; Kondo, T.; Sago, K. Mol. Cryst. Liq. Cryst. 2004, 41, 1169.