Computational electrochemistry study of 16 isoindole-4,7-diones as candidates for organic cathode materials

Journal of Physical Chemistry C

Volumn 116, Issue 5, 2012, Pages 3793-3801

  Karlsson, Christoffer ^a   Jämstorp, Erik ^a   Strømme, Maria ^a   Sjödin, Martin ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ACID DISSOCIATION CONSTANTS; ACTIVE MATERIAL; CATHODE MATERIALS; COMPUTATIONAL ELECTROCHEMISTRY; COMPUTATIONAL STRATEGY; ELECTROACTIVE; ELECTROCHEMICAL BEHAVIORS; ELECTRON TRANSFER; HIGH SPECIFIC CAPACITY; LI-ION BATTERIES; ORGANIC MOLECULES; REDOX BEHAVIOR; REDOX POTENTIALS; SPECTROSCOPIC MEASUREMENTS; TAKE-ALL; TRIFLUOROMETHYL;

ELECTROCHEMISTRY; ORGANIC POLYMERS; REDOX REACTIONS;

CATHODES;

EID: 84856944256     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp211851f     Document Type: Article

References (48)

1. Walsh, C. T.; Garneau-Tsodikova, S.; Howard-Jones, A. R. Nat. Prod. Rep. 2006, 23, 517-531
2. Münstedt, H.; Köhler, G.; Möhwald, H.; Naegele, D.; Bitthin, R.; Ely, G.; Meissner, E. Synth. Met. 1987, 18, 259-264
3. Vidal, J. C.; García, E.; Castillo, J. R. Anal. Chim. Acta 1999, 385, 213-222
4. Bentley, R.; Campbell, I. M. In The Chemistry of the Quinonoid Compounds; Patai, S., Ed.; John Wiley & Sons: London, 1974; Vol. 1, pp 683-736.
5. Robertson, N.; Stratford, I. J.; Houlbrook, S.; Carmichael, J.; Adams, G. E. Biochem. Pharmacol. 1992, 44, 409-412
6. Rahimipour, S.; Gescheidt, G.; Bilkis, I.; Fridkin, M.; Weiner, L. Appl. Magn. Reson. 2010, 37, 629-648
7. Chen, H.; Armand, M.; Courty, M.; Jiang, M.; Grey, C. P.; Dolhem, F.; Tarascon, J.-M.; Poizot, P. J. Am. Chem. Soc. 2009, 131, 8984-8988
8. Chambers, J. Q. In The Chemistry of the Quinonoid Compounds; Patai, S., Ed.; John Wiley & Sons: London, 1974; Vol. 1, pp 737-791.
9. Frincke, J. M.; Faulkner, D. J. J. Am. Chem. Soc. 1982, 104, 265-269
10. Infante, G. A.; Gonzalez, P.; Cruz, D.; Correa, J.; Myers, J. A.; Ahmad, M. F.; Whitter, W. L.; Santos, A.; Neta, P. Radiat. Res. 1982, 92, 296-306
11. Le Gall, T.; Reiman, K. H.; Grossel, M. C.; Owen, J. R. J. Power Sources 2003, 119-121, 316-320
12. Zeng, R.-H.; Li, X.-P.; Qiu, Y.-C.; Li, W.-S.; Yi, J.; Lu, D.-S.; Tan, C.-L.; Xu, M.-Q. Electrochem. Commun. 2010, 12, 1253-1256
13. Genorio, B.; Pirnat, K.; Cerc-Korosec, R.; Dominko, R.; Gaberscek, M. Angew. Chem., Int. Ed. 2010, 49, 7222-7224
14. Armand, M.; Tarascon, J. M. Nature 2008, 451, 652-657
15. Winter, M.; Besenhard, J. O. Electrochim. Acta 1999, 45, 31-50
16. Nishide, H.; Oyaizu, K. Science 2008, 319, 737-738
17. Nakahara, K.; Iwasa, S.; Satoh, M.; Morioka, Y.; Iriyama, J.; Suguro, M.; Hasegawa, E. Chem. Phys. Lett. 2002, 359, 351-354
18. Suga, T.; Pu, Y.-J.; Kasatori, S.; Nishide, H. Macromolecules 2007, 40, 3167-3173
19. Li, J.; Zhan, H.; Zhou, L.; Deng, S.; Li, Z.; Zhou, Y. Electrochem. Commun. 2004, 6, 515-519
20. Sarukawa, T.; Yamaguchi, S.; Oyama, N. J. Electrochem. Soc. 2010, 157, F196-F201
21. Armand, M.; Grugeon, S.; Vezin, H.; Laruelle, S.; Ribière, P.; Poizot, P.; Tarascon, J.-M. Nat. Mater. 2009, 8, 120-125
22. Walker, W.; Grugeon, S.; Mentre, O.; Laruelle, S.; Tarascon, J.-M.; Wudl, F. J. Am. Chem. Soc. 2010, 132, 6517-6523
23. Han, X.; Chang, C.; Yuan, L.; Sun, T.; Sun, J. Adv. Mater. 2007, 19, 1616-1621
24. Renault, S.; Geng, J.; Dolhem, F.; Poizot, P. Chem. Commun. 2011, 47, 2414-2416
25. Häringer, D.; Novák, P.; Haas, O.; Piro, B.; Pham, M.-C. J. Electrochem. Soc. 1999, 146, 2393-2396
26. Yoshida, H.; Uotani, N.; Saida, Y. PCT Int. Appl. 1987, in press.
27. Rhee, S. B.; Lee, M.-H.; Moon, B. S.; Kang, Y. Korea Polym. J. 1993, 1, 61-68
28. Shim, Y.-B.; Park, S.-M. J. Electroanal. Chem. 1997, 425, 201-207
29. Namazian, M.; Almodarresieh, H. A.; Noorbala, M. R.; Zare, H. R. Chem. Phys. Lett. 2004, 396, 424-428
30. Cape, J. L.; Bowman, M. K.; Kramer, D. M. Phytochemistry 2006, 67, 1781-1788
31. Schubert-Zsilavecz, M.; Michelitsch, A.; Likussar, W. Monatsh. Chem. 1992, 123, 1223-1225
32. Schubert-Zsilavecz, M.; Likussar, W.; Gusterhuber, D.; Michelitsch, A. Monatsh. Chem. 1991, 122, 383-387
33. Frisch, M. J.; Gausian 09; Gaussian, Inc.: Wallingford, CT, 2009.
34. Foresman, J. B.; Frisch, A. Exploring Chemistry with Electronic Structure Methods, 2 nd ed.; Gaussian Inc.: Pittsburgh, PA, 1996.
35. Bergman, D. L.; Laaksonen, L.; Laaksonen, A. J. Mol. Graphics Modell. 1997, 15, 301-306
36. Dennington, R.; Keith, T.; Millam, J. GaussView; Semichem, Inc.: Shawnee Mission, KS, 2009.
37. Jang, Y. H.; Sowers, L. C.; Çaǧin, T.; Goddard, W. A., III. J. Phys. Chem. A 2001, 105, 274-280
38. Trasatti, S. Pure Appl. Chem. 1986, 58, 955-966
39. Stevenson, P. E. J. Mol. Spectrosc. 1965, 17, 58-85
40. Hasselbalch, K. A. Biochem. Z. 1916, 78, 112-144
41. Bailey, S. I.; Ritchie, I. M. Electrochim. Acta 1985, 30, 3-12
42. Davis, K. M. C.; Hammond, P. R.; Peover, M. E. Trans. Faraday Soc. 1965, 61, 1516-1522
43. Bachrach, S. M. In Computational Organic Chemistry; John Wiley & Sons, Inc.: Hoboken, NJ, 2007; pp 349-411.
44. Andrieux, C. P.; Audebert, P.; Hapiot, P.; Savéant, J.-M. J. Phys. Chem. 1991, 95, 10158-10164
45. Hawkins, S. J.; Ratcliffe, N. M. J. Mater. Chem. 2000, 10, 2057-2062
46. Clayden, J.; Greeves, N.; Warren, S.; Wothers, P. In Organic Chemistry; Oxford University Press: New York, 2001; pp 1147-1183.
47. Connelly, N. G.; Geiger, W. E. Chem. Rev. 1996, 96, 877-910
48. Tarascon, J.-M.; Armand, M. Nature 2001, 414, 359-367