Theoretical study on endohedral complexes C2H2-C 60, C2H4-C60, and C 2H6-C60

Journal of Theoretical and Computational Chemistry

Volumn 7, Issue 1, 2008, Pages 1-11

  Jin, Lianji ^a,b   Zhang, Min ^a   Su, Zhongmin ^a   Shi, Lili ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

Binding energy; DFT; Doped C60; Electronic stability; Endofullerene; Hydrocarbon

Indexed keywords

EID: 43949108598     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633608003551     Document Type: Article

References (43)

1. Kroto HW, Heath JR, O'Brien SC, Curl RF, Smalley RE, Nature 318:162, 1985.
2. Alvarez MM, Gillan EG, Holczer K, Kaner RB, Min KS, Whetten RL, J Phys Chem 95:10561, 1991.
3. Bethune DS, Johnson FD, Salem JR, de Rries MS, Yannoni CS, Nature 366:123, 1993.
4. Xu Z, Nakane T, Shinohara H, J Am Chem Soc 118:11309, 1996.
5. Dennis TJS, Shinohara, Chem Phys Lett 278:07, 1997a.
6. Wan SM, Zhang HW, Nakane T, Xu Z, Inakuma M, Shinohara H, Kobayashi K, Nagase S, J Am Chem Soc 120:6806, 1998.
7. Edward GG, Chahan Y, Kyu SM, Marcos MA, Robert LW, Richard BK, J Phys Chem 96:6869, 1992.
8. Moro L, Ruoff RS, Becker CH, Lorents DC, Malhotra R, J Phys Chem 97:6801, 1993.
9. Shinohara H, Rep Prog Phys 63:843, 2000.
10. Guo T, Diener MD, Chai Y, Alford MJ, Haufler RE, McClure SM, Ohno T, Weaver JH, Scuseria GE, Smalley RE, Science 257:1661, 1992
11. Kubozono Y, Ohta T, Hayashibara T, Maeda H, Ishida H, Kashino S, Oshima K, Yamazaki H, Ukita S, Sogabe T, Chem Lett 457, 1995.
12. Patchkovskii S, Thiel W, J Chem Phys 106:1796, 1997.
13. Patchkovskii S, Thiel W, J Am Chem Soc 118:7164, 1996.
14. Bühl M, Thiel W, Chem Phys Lett 233:585, 1995.
15. Heath JR, O'Brien SC, Zhang Q, Liu Y, Curl RF, Tittel FK, Smalley RE, J Am Chem Soc 107:7779, 1985.
16. Yamamoto K, Saunders M, Khong A, James C Jr. R, Michael G, Gross ML, Benedetto AF, Bruce WR, J Am Chem Soc 121:1591, 1999.
17. Syamala MS, Cross RJ, Saunders M, J Am Chem Soc 124:6216, 2002.
18. Stevenson S, Burbank P, Harich K, Sun Z, Dorn HC, van Loosdrecht PHM, deVries MS, Salem JR, Kiang CH, Johnson RD, Bethune DS, J Phys Chem A 102:2833, 1998.
19. Reich A, PanthÖfer M, Modrow H, Wedig U, Jansen M, J Am Chem Soc 126:14428, 2004.
20. Yeretzian C, Hansen K, Alvarez MM, Min KS, Gillan EG, Holczer K, Kaner RB, Whetten RL, Chem Phys Lett 196:337, 1992.
21. Dresselhaus MS, Dresselhaus G, Eklund PC, Science of Fullerens and Carbon Nanotubes, Academic Press, San Diego, 1996.
22. Shinohara H, Sato H, Saito Y, Ohkohchi M, Ando Y, J Phys Chem 96:3571, 1992.
23. Yanov I, Leszczynski J, J Mol Graph Model 19:232, 2001.
24. Hu Y, Ruckenstein E, J Am Chem Soc 127:11277, 2005.
25. Stevenson S, Rice G, Glass T, Harich K, Cromer F, Jordan MR, Craft J, Hadju E, Bible R, Olmstead MM, Maitra K, Fisher AJ, Balch AL, Dorn HC, Nature 401:55, 1999.
26. Komatsu K, Murata M, Murata Y, Science 307:238, 2005.
27. Huntley DR, Markoponlous G, Donovan PM, Scott LT, Hoffmann R, Angew Chem Int 44:1, 2005.
28. Becke AD, Phys Rev A 38:3098, 1988.
29. Pavlov M, Siegbahn PEM, Sandstrom M, J Phys Chem A 102:219, 1998.
30. Simon S, Duran M, Dannenberg JJ, J Chem phys 105:11024, 1996.
31. Simon S, Duran M, Dannenberg JJ, J Phys Chem A 103:1640, 1999.
32. Becke AD, J Chem Phys 98:5648, 1993.
33. Lee C, Yang W, Parr RG, Phys Rev B 37:785, 1988.
34. Salvador P, Duran M, J Chem Phys 111:4460, 1999.
35. Frisch MJ, Trucks GW, Schlegel HB, et al., Gaussian 03, Revision C.02, Gaussian, Inc., Pittsburgh, PA, 2003.
36. Andreoni W, Curioni A, Appl Phys A 66:299, 1998.
37. Andreoni W, Curioni A, Phys Rev Lett 77:834, 1996.
38. Guo T, Odom GK, Scuseria GE, J Phys Chem 98:7745, 1994.
39. Mauser H, Hommes NJRV, Clark T, Hirsch A, Pietzak B, Weidinger A, Dunsch L, Angew Chem Int Ed Engl 36:2835, 1997.
40. Murphy TA, Waiblinger M, Pietzak B, Appl Phys A 66:287, 1998.
41. Pang L, Brisse F, J Phys Chem 97:8562, 1997.
42. Son M, Sung YK, Chem Phys Lett 245:113, 1997.
43. Murata Y, Murata M, Komatsu K, J Am Chem Soc 125:7152, 2003.