Rearrangements in icosahedral boranes and carboranes revisited

Journal of Molecular Modeling

Volumn 12, Issue 5, 2006, Pages 653-664

  Brown, Christopher A ^a   McKee, Michael L ^a  

^a AUBURN UNIVERSITY   (United States)

Author keywords

Carboranes; Deltahedron; Diamond square diamond; Icosahedral; Triangular face rotation

Indexed keywords

BORANE DERIVATIVE; CARBORANE DERIVATIVE;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; ELECTRON DIFFRACTION; ENERGY YIELD; PRIORITY JOURNAL; REACTION ANALYSIS; TEMPERATURE; THERMODYNAMICS; VIBRATION;

BORANES; CARBON; ELECTRONS; ENTROPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; TEMPERATURE;

EID: 33746410078     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-006-0111-5     Document Type: Article

References (43)

1. Wade K (1976) Adv Inorg Chem Radiochem 18:1-66
2. Wade K (1971) Chem Commun 1:792-793
3. Hart HV, Lipscomb WN (1973) Inorg Chem 12:2644-2649
4. Hart HV, Lipscomb WN (1969) J Am Chem Soc 91:771-772
5. Lipscomb WN (1966) Science 153:373-378
6. Lipscomb WN (1959) Adv Inorg Chem Radiochem 1:117-156
7. Williams RE (1971) Inorg Chem 10:210-214
8. Williams RE, Gerhart FJ (1965) J Am Chem Soc 87:3513-3515
9. Williams RE (1976) Adv Inorg Chem Radiochem 18:67-142
10. Driess M, Nöth H (eds) (2004) Molecular clusters of the main group elements. Wiley-VCH Verlag GmbH KGaA, Weinheim
11. Grimes RN (1970) Carboranes. Academic, New York
12. Lipscomb WN (1963) Boron hydrides. Benjamin, New York
13. Mingos DMP, Wales DJ (1990) Introduction to cluster chemistry. Prentice Hall, New York
14. Mutterties EL, Knoth WH (1968) Polyhedral boranes. Marcel Dekker, New York
15. Fox MA, Wade K (2003) Pure Appl Chem 75:1315-1323
16. Kiani FA, Hofmann M (2004) Inorg Chem 43:8561-8571
17. Casanova J (ed) (1998) The borane, carborane, carbocation continuum. Wiley, New York
18. Ceulemans A, Goijens G, Nguyen MT (1994) J Am Chem Soc 116:9395-9396
19. Deng L, Chan H, Xie Z (2005) Angew Chem Int Ed 44:2-5
20. Kaczmarcyzk A, Dobrott RD, Lipscomb WN (1962) Proc Natl Acad Sci U S A 48:729-733
21. Laromaine A, Teixidor F, Viñas C (2005) Angew Chem Int Ed 44:2-4
22. McKee ML, Wang Z, Schleyer PvR (2000) J Am Chem Soc 122:4781-4793
23. McKee ML (1992) J Am Chem Soc 114:879-881
24. Barnett-Thamattoor L, Wu JJ, Ho DM, Jones M Jr (1996) Tetrahedron Lett 37:7221-7224
25. Gimarc BM, Warren DS, Ott JJ, Brown C (1991) Inorg Chem 30:1598-1605
26. McKee ML (1994) J Phys Chem 98:13243-13248
27. McKee ML (1992) J Am Chem Soc 114:5856-5858
28. Wong HS, Lipscomb WN (1975) Inorg Chem 6:1350-1357
29. Ye Q, Li J, Jones M Jr, Wu H, Mckee ML, Shevlin PB (2002) Tetrahedron Lett 43:735-736
30. Gimarc BM, Zhao M (1996) Inorg Chem 35:825-834
31. Johnson BFG (1986) Chem Commun 1:27-30
32. Roberts YV, Johnson BFG (1994) J Chem Soc Dalton Trans 5:759-766
33. Wales DJ, Mingos DMP, Zhenyang L (1989) Inorg Chem 28:2754-2764
34. Wales DJ, Mingos DMP (1989) Polyhedron 8:1933-1938
35. Wales DJ, Stone AJ (1987) Inorg Chem 26:3845-3850
36. Wu S, Jones M Jr (1989) J Am Chem Soc 111:5373-5384
37. Edvenson GM, Gaines DF (1990) Inorg Chem 29:1210-1216
38. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, A l -Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2004) Gaussian, Wallingford, CT
39. Mutterties EL (1975) Boron hydride chemistry. Academic, New York
40. Grafstein D, Dvorak J (1963) Inorg Chem 2:1128-1133
41. Papetti S, Heying TL (1964) J Am Chem Soc 86:2295
42. Turner AR, Robertson HE, Borisenko KB, Rankin DWH, Fox MA (2005) J Chem Soc Dalton Trans 7:1310-1318
43. Bohn RK, Bohn MD (1971) Inorg Chem 10:350-355