Insertion of transition metal atoms and ions into the nanoscale dodecahedral silsesquioxane (T12-POSS) cage: Structures, stabilities and electronic properties

Chemical Physics Letters

Volumn 467, Issue 4-6, 2009, Pages 348-353

  Hossain, Delwar ^a,b   Gwaltney, Steven R ^a   Pittman Jr , Charles U ^a   Saebo, Svein ^a  

^a MISSISSIPPI STATE UNIVERSITY   (United States)

^b UNIVERSITY OF DHAKA   (Bangladesh)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; CHEMICAL PROPERTIES; CHROMIUM; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; IONIZATION POTENTIAL; MANGANESE; MANGANESE COMPOUNDS; METALS; MOLYBDENUM; SCANDIUM; TRANSITION METALS; ZINC;

ENDOHEDRAL COMPLEXES; INCLUSION ENERGIES; NANOSCALE; POLYHEDRAL OLIGOMERIC SILSESQUIOXANE; SILSESQUIOXANE; TRANSITION METAL ATOMS;

TRANSITION METAL COMPOUNDS;

EID: 57749119178     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.11.042     Document Type: Article

References (49)

1. Li G., Wang L., Ni H., and Pittman Jr. C.U. J. Inorg. Organomet. Polym. 11 (2002) 123
2. Scott D.W.J. Am. Chem. Soc. 68 (1946) 356
3. Feher F.J., and Wyndham K.D. Chem. Commun. (1998) 323
4. Schwab J.J., and Lichtenhan J.D. Appl. Organomet. Chem. 12 (1998) 707
5. Maxim N., Abbenhuis H.C.L., Stobbelaar P.J., Mojet B.L., and van Santen R.A. Phys. Chem. Chem. Phys. 18 (1999) 4473
6. Ducateau R., et al. Organometallics 18 (1999) 5447
7. Klunduk M.C., Maschmeyer T., Thomas J.M., and Johnson F.G. Chem. Eur. J. 5 (1999) 1481
8. Lee A., and Lichtenhan J.D. J. Appl. Polym. Sci. 73 (1999) 1993
9. Abbenhuis H.C.L. Chem. Eur. J. 6 (2000) 25
10. Fu B.X., et al. Polym. Int. 49 (2000) 437
11. Fu B.X., et al. J. Polymer 42 (2001) 599
12. Li G.Z., Wang L., Toghiani H., Daulton T.L., Koyama K., and Pittman Jr. C.U. Macromolecules 34 (2001) 8686
13. Wada K., Yamada K., Kondo T., and Mitsudo T.-A. Chem. Lett. (2001) 12
14. Dance B. Semiconduct. Int. 24 (2001) 46
15. Maxim N., Magusin P.C.M.M., Kooyman P.J., van Wolput J.H.M.C., van Santen R.A., and Abbenhuis H.C.L. Chem. Mater. 13 (2001) 2958
16. Raj R., Riedel R., and Soraru G.D. J. Am. Ceram. Soc. 84 (2001) 2158
17. Li G.Z., Wang L., Toghiani H., Daulton T.L., and Pittman Jr. C.U. Polymer 43 (2002) 4167
18. Zheng L., Waddon A.J., Farris R.J., and Coughlin E.B. Macromolecules 35 (2002) 2375
19. Xiao F.S., Han Y., Yu Y., Meng X., Yang M., and Wu S. J. Am. Chem. Soc. 124 (2002) 888
20. Lamm M.H., Chen T., and Glotzer S.C. Nano Lett. 3 (2003) 989
21. Bassindale A.R., Pourny M., Taylor P.G., Hursthouse M.B., and Light M.E. Angew. Chem., Int. Ed. 42 (2003) 3488
22. Earley C.W. J. Phys. Chem. 98 (1994) 8693
23. de Man A.J.M., and Sauer J. J. Phys. Chem. 100 (1996) 5025
24. Tossell J.A. J. Phys. Chem. 100 (1996) 5025
25. Pasquarello A., Hybertsen M.S., and Car R. Phys. Rev. B 54 (1996) R2339
26. Xiang K.-H., Pandey R., Pernisz U.C., and Freeman J. J. Phys. Chem. B 102 (1998) 8704
27. Cheng W.-D., Xiang K.-H., Pandey R., and Pernisz R.U.C. J. Phys. Chem. 104 (2000) 6737
28. George A.R., and Catlow C.R.A. Chem. Phys. Lett. 247 (1995) 408
29. Park S.S., Xiao C., Hagelberg F., Hossain D., Pittman Jr. C.U., and Saebo S. J. Phys. Chem. A 108 (2004) 11260
30. Hossain D., Pittman Jr. C.U., Saebo S., and Hagelberg F. J. Phys. Chem. C 111 (2007) 13864
31. Tejerina B., and Gordon M.S. J. Phys. Chem. B 106 (2002) 11764
32. Kudo T., Akasaka M., and Gordon M.S. Theor. Chem. Account 120 (2008) 155
33. Mattori M., Mogi K., Sakai Y., and Isobe T. J. Phys. Chem. A 104 (2000) 10868
34. Hossain D., Pittman Jr. C.U., Saebo S., and Hagelberg F. J. Phys. Chem. C 112 (2008) 16070
35. Frisch M.J.T., et al. Gaussian 03, Revision C.02 (2004), Gaussian, Inc., Wallingford, CT
36. Lee C., Yang W., and Parr R.G. Phys, Rev. B: Condens. Matter Mater. Phys. 37 (1988) 785
37. Becke A.D. J. Chem. Phys. 98 (1993) 5648
38. Raghavachari K., and Trucks G.W. J. Chem. Phys. 91 (1989) 1062
39. E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO 4.M University of Wisconson, Madison, 1993.
40. Cheeseman J.R., Trucks G.W., Keith T., and Frisch M.J. J. Phys. Chem. 104 (1996) 5497
41. Schreckkenbach G., and Ziegler T. J. Phys. Chem. 99 (1995) 606
42. Toernroos K.W., Buergi H.-B., Calzaferri G., and Buergy H. Acta Cryst. Sect.: B Struct. Sci. B51 (1995) 155
43. Agaskar P.A., and Klemperer W.G. Inorg. Chim. Acta 229 (1995) 355
44. Agaskar P.A., Day V.W., and Klemperer W.G. J. Am. Chem. Soc. 109 (1987) 5554
45. Feher F.J., and Budzichowski T.A. J. Organomet. 153 (1989) 373
46. Huheey J.E., Keiter A.E., and Keiter L.R. Inorganic Chemistry: Principles of Structure and Reactivity (1993), Harper Collins, New York
47. James M.A., and Lord P.M. MacMillan's Chemical and Physical Data (1992), MacMillan, London
48. Moran D., Stahl F., Jemmis E.D., Schaefer III H.F., and Schleyer P.v.R. J. Phys. Chem. A 106 (2002) 5144
49. Jiao H., Nagelkerke R., Kurtz H.A., Williams R.V., Borden W.T., and Schleyer P.V.R. J. Am. Chem. Soc. 119 (1997) 5921