Conformational study of poly(p-phenylene) by molecular mechanics minimization

Macromolecules

Volumn 29, Issue 22, 1996, Pages 7149-7154

  Park, Kang C ^a   Dodd, Lawrence R ^a   Levon, Kalle ^a   Kwei, T K ^a  

^a POLYTECHNIC UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; HYDROGEN BONDS; MOLECULAR STRUCTURE; PHASE TRANSITIONS; SYNTHESIS (CHEMICAL);

AROMATIC RINGS; BULK PROPERTIES; CONJUGATED BONDS; MOLECULAR CONFORMATIONS; MOLECULAR MECHANICS MINIMIZATION; SIDE CHAINS; TORSION ANGLE;

ORGANIC POLYMERS;

EID: 0030262171     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma960607t     Document Type: Article

References (16)

1. Etemad, S,; Heeger, A. J.; MacDiamid, A. G. Annu. Rev. Phys. Chem. 1982, 33, 413.
2. Rughooputh, S. D. D. V.; Hotta, S.; Heeger, A. J.; Wudl, F. J. Polym. Sci., Polym. Phys. 1987, 25, 1071.
3. Inganäs, O.; Salaneck, W. R.; Österholm, J.-E.; Laakso, J. Synth. Met. 1988, 22, 395.
4. Brédas, J. L.; Street, G. B.; Thémans, B.; André, J. M. J. Chem. Phys. 1985, 83, 1323.
5. Ho, K.-S.; Bartus, J.; Levon, K.; Zheng, W.-Y.; Laakso, J.; Taka, T. Synth. Met. 1993, 55, 384.
6. Kovacic, P.; Kyriakis, A. J. Am. Chem. Soc. 1963, 85, 454.
7. Kovacic, P.; Oziomek, J. J. Org. Chem. 1964, 29, 100.
8. Rehahn, M.; Schlüter, A.-D.; Wegner, G.; Feast, W. J. Polymer 1989, 30, 1054.
9. Rehahn, M.; Schlüter, A.-D.; Wegner, G.; Feast, W. J. Polymer 1989, 30, 1060.
10. Ballauff, M. Angew. Chem., Int. Ed. Engl. 1989, 28, 253.
11. Rehahn, M.; Schlüter, A.-D.; Wegner, G. Makromol. Chem. 1990, 191, 1991.
12. Vahlenkamp, T.; Wegner, G. Makromol. Chem. 1994, 195, 1933.
13. Rappe, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A., III; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024.
14. Stolevik, R.; Thingstad, O. J. Mol. Struct. 1984, 106, 333.
15. Brock, C. P.; Minton, R. P. J. Am. Chem. Soc. 1989, 111, 4586.
16. Bastiansen, O.; Samdal, S. J. Mol. Struct. 1985, 128, 115.