BN-substituted fullerenes C60-2x(BN)x: A computational 11B and 15N NMR study

Structural Chemistry

Volumn 23, Issue 6, 2012, Pages 1921-1929

  Anafcheh, Maryam ^a   Ghafouri, Reza ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

BN Doped fullerene; CBN Heterofullerene; Density functional theory (DFT); NBO; NMR

Indexed keywords

EID: 84872020785     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-012-0002-6     Document Type: Article

References (36)

1. Kroto HW, Heath JR, O'Brien SS, Curl RF, Smally RE (1985) Nature 318:162-163
2. Taylor R (1995) The chemistry of fullerenes. World Scientific Publishing Company, River Edge
3. Kroto HW (1987) Nature 329:529-531
4. Guo T, Jin C, Smalley RE (1991) J Phys Chem 95:4948-4950
5. Pradeep T, Vijayakrishnan V, Santra AK, Rao CNR (1991) J Phys Chem 95:10564-10565
6. Averdung J, Luftmann H, Schlachter I, Mattay J (1995) Tetrahedron 51:6977-6982
7. Pavlovich J, Gonzalez R, Hummelen JC, Knight B, Wudl F (1995) Science 269:1554-1556
8. Nirmala V, Kolandaivel P (2005) Int J Nanosci 4:377-388
9. Xu SH, Zhang MY, Zhao YY, Chen BBG, Zhang J, Sun CC (2006) Chem Phys Lett 418:297-301
10. Strought DL (2001) J Phys Chem A 105:261-263
11. Chen Z, Jiao H, Hirsch A, Thiel W (2001) J Org Chem 66:3380-3383
12. Liu F, Meng L, Zheng S (2006) J Phys Chem B 110:6666-6672
13. Hummelen JC, Bellavia-Lund C, Wudl F (1999) Top Curr Chem 199:1-65
14. Hirsch A, Nuber B (1999) Acc Chem Res 32:795-804
15. Reuther U, Hirsch A (2000) Carbon 38:1539-1549
16. Nakano S, Akaishi M, Sasaki T, Yamaoka S (1994) Chem Mater 6:2246-2251
17. Kroto HW (1994) Science 242:2246-2251
18. Pattanayak J, Kar T, Scheiner S (2001) J Phys Chem A 105: 8376-8384
19. Pattanayak J, Kar T, Scheiner S (2002) J Phys Chem A 106: 2970-2978
20. Kar T, Pattanayak J, Scheiner S (2003) J Phys Chem A 107: 8630-8637
21. Ramachandran CN, Sathyamurthy N (2007) J Phys Chem A 111: 6901-6903
22. Chen Z, Ma K, Chen L, Zhao H, Pan Y, Xao X, Tang A, Feng J (1998) J Mol Struct (Theochem) 452:219-225
23. Esfarjani K, Ohno K, Kawazoe Y (1994) Phys Rev B 50:17830-17836
24. Canet D (1996) Understanding NMR spectroscopy. Wiley, Chichester
25. Bovey FA (1988) Nuclear magnetic resonance spectroscopy. Academic Press, San Diego
26. Wu G, Dong S, Ida R, Reen N (2002) J Am Chem Soc 124:1768-1777
27. Reed AE, Curtiss LA, Weinhold F (1988) Chem Rev 88:899-926
28. Reed AE, Weinstock RB, Weinhold F (1985) J Chem Phys 83:735-746
29. Lee JG, Jeong HY, Lee H (2003) Bull Korean Chem Soc 24:369-376
30. McPherson LD, Drees M, Khan SI, Strassner T, Abu-Omar MM (2004) Inorg Chem 43:4036-4050
31. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head- Gordon M, Replogle ES, Pople JA (1998) Gaussian 98. Gaussian Inc, Pittsburgh
32. Hariharan PC, Pople JA (1974) Mol Phys 27:209-214
33. Zhang Y, Wu A, Xu X, Yan Y (2007) J Phys Chem A 111:9431-9437
34. Wolinski K, Hilton JF, Pulay P (1990) J Am Chem Soc 112:8251-8260
35. Barone V, Koller A, Scuseria GE (2006) J Phys Chem A 110:10844-10847
36. Drago RS (1992) Physical methods for chemists, 2nd edn. Saunders College Publishing, Orlando