Trimers and tetramers of MH and MH3 (M = Al, Ga): Theoretical study

Chemical Physics

Volumn 327, Issue 2-3, 2006, Pages 247-260

  Moc, Jerzy ^a   Bober, Karolina ^a   Mierzwicki, Krzysztof ^a  

^a UNIVERSITY OF WROC AW   (Poland)

Author keywords

Ab initio and density functional theory; Al3H3(Ga3H3); Al3H9(Ga3H9); Al4H12(Ga4H12); Al4H4(Ga4H4); Fragmentation reactions; Thermodynamic stabilities

Indexed keywords

EID: 33748107860     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.04.015     Document Type: Article

References (70)

1. Graetz J., Reilly J.J., Johnson J., Ignatov A.Yu., and Tyson T.A. Appl. Phys. Lett. 85 (2004) 500
2. Schüth F., Bogdanovic B., and Felderhoff M. Chem. Commun. (2004) 2249
3. Moc J., Bober K., and Panek J. J. Mol. Model. 12 (2005) 93
4. Zhu Y.F., Shehadeh R., and Grant E.R. J. Chem. Phys. 97 (1992) 883
5. Köppe R., and Kasai P.H. J. Am. Chem. Soc. 118 (1996) 135
6. Parnis J.M., and Ozin G.A. J. Phys. Chem. 93 (1989) 1215
7. Pullumbi P., Mijoule C., Manceron L., and Bouteiller Y. Chem. Phys. 185 (1994) 13
8. Chaban G., and Gordon M.S. Chem. Phys. Lett. 278 (1997) 195
9. Williams J., and Alexander M.H. J. Chem. Phys. 112 (2000) 5722
10. Pullumbi P., Bouteiller Y., Manceron L., and Mijoule C. Chem. Phys. 185 (1994) 25
11. Wang X., Andrews L., Tam S., DeRose M.E., and Fajardo M.E. J. Am. Chem. Soc. 125 (2003) 9218
12. Wang X., and Andrews L. J. Phys. Chem. A 107 (2003) 11371
13. Urban R.D., Birk H., Polomsky P., and Jones H. J. Chem. Phys. 94 (1991) 2523
14. Knight Jr. L.B., Banisakuas III J.J., Babb R., and Davidson E.R. J. Chem. Phys. 105 (1996) 6607
15. Baird N.C. Can. J. Chem. 63 (1984) 71
16. Stephens J.C., Bolton E.B., Schaefer III H.F., and Andrews L. J. Chem. Phys. 107 (1997) 119
17. Palagyi Z., Grev R.S., and Schaefer H.F. J. Am. Chem. Soc. 115 (1993) 1936
18. Treboux G., and Barthelat J.C. J. Am. Chem. Soc. 115 (1993) 4870
19. Palagyi Z., Schaefer H.F., and Kapuyi E. Chem. Phys. Lett. 203 (1995) 195
20. Moc J., and Wierzejewska M. Chem. Phys. Lett. 380 (2003) 304
21. Chertihin G.V., and Andrews L. J. Chem. Phys. 97 (1993) 10295
22. Himmel H.-J., Manceron L., Downs A.J., and Pullumbi P. J. Am. Chem. Soc. 124 (2002) 4448
23. Xiao Z.L., Hauge R.H., and Margrave J.L. Inorg. Chem. 32 (1993) 642
24. Kohn A., Himmel J.-J., and Gaertner B. Chem. Eur. J. 9 (2003) 3909
25. Andrews L., and Wang X. Science 299 (2003) 2049
26. Downs A.J., Goode M.J., and Pulham C.R.J. J. Am. Chem. Soc. 111 (1989) 1936
27. Pulham C.R., Downs A.J., Goode M.J., and Rankin D.W.H. J. Am. Chem. Soc. 113 (1991) 5149
28. Lammertsma K., Güner O.F., Drewes R.M., Reed A.E., and Schleyer P. Inorg. Chem. 28 (1989) 313
29. Lammertsma K., and Leszczynski J. J. Phys. Chem. 94 (1990) 5543
30. Lammertsma K., and Leszczynski J. J. Phys. Chem. 94 (1990) 2806
31. Liang C., Davy R.D., and Schaefer III H.F. Chem. Phys. Lett. 159 (1989) 393
32. Barone V., Orlandini L., and Adamo C. J. Phys. Chem. 98 (1994) 13185
33. Xie Y., Schreiner P.R., Schaefer III H.F., Li X.-W., and Robinson G.H. J. Am. Chem. Soc. 118 (1996) 10635
34. Himmel H.-J. Eur. J. Inorg. Chem. (2003) 2153
35. Ahlrichs R., Ehrig M., and Horn H. Chem. Phys. Lett. 183 (1991) 227
36. Schnepf A., Köppe R., and Shnöckelc H. Angew. Chem. Int. Ed. 40 (2001) 1241
37. Downs A.J., and Pulham C.R. Chem. Soc. Rev. 175 (1994) 1994
38. P.F. Souter, Phil. Thesis, Unviversity of Oxford, 1995, as quoted in Ref. [12].
39. Turley J.W., and Rinn H.W. Inorg. Chem. 8 (1969) 18
40. Andrews L., and Wang X. J. Phys. Chem. A 108 (2004) 4202
41. Go E.P., Thuermer K., and Reutt-Robey J.E. Surf. Sci. 437 (1999) 377
42. Duke B.J., Liang C., and Schaefer III H.F. J. Am. Chem. Soc. 113 (1991) 2884
43. Shen M., Liang C., and Schaefer III H.F. Chem. Phys. 171 (1993) 325
44. Willis B.G., and Jensen K.F. J. Phys. Chem. A 104 (2000) 7881
45. Bock C.W., Roberts C., O'Malley K., Trachtman M., and Mains G.J. J. Phys. Chem. 96 (1992) 4859
46. Frisch M.J., Pople J.A., and Binkley J.S. J. Chem. Phys. 80 (1984) 3265
47. Becke A.D. J. Chem. Phys. 98 (1993) 5648
48. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
49. Bartlett R.J., and Purvis G.D. Int. J. Quant. Chem. 14 (1978) 516
50. Raghavachari K., Trucks G.W., Pople J.A., and Head-Gordon M. Chem. Phys. Lett. 157 (1989) 479
51. Frisch M.J., et al. Gaussian 03, Revision B.01 (2003), Gaussian, Inc., Pittsburgh, PA
52. Bader R.F.W. Atoms in Molecules: A Quantum Theory (1990), Oxford University Press, Oxford
53. Cremer D., and Kraka E. Croat. Chem. Acta 57 (1984) 1259
54. Cremer D., and Kraka E. Angew. Chem. Int. Ed. Engl. 23 (1984) 627
55. Bianchi R., Gervasio G., and Marabello D. Inorg. Chem. 39 (2000) 2360
56. Macchi P., Proserpio D.M., and Sironi A. J. Am. Chem. Soc. 120 (1998) 13429
57. G.A. Zhurko, D.A. Zhurko, ChemCraft Tool for Treatment of the Chemical Data. Available from: ().
58. Flükiger P., Lüthi H.P., Portmann S., and Weber J. CHIMIA 54 (2000) 766
59. Goebbert D.J., Hernandez H., Francisco J.S., and Wenthold P.G. J. Am. Chem. Soc. 127 (2005) 11684
60. Jones R.O. J. Chem. Phys. 99 (1993) 1194
61. Lammertsma K., and Ohwada T. J. Am. Chem. Soc. 118 (1996) 7247
62. McKee M. J. Phys. Chem 95 (1991) 6519
63. Macchi P., and Sironi A. Coord. Chem. Rev. 383 (2003) 238
64. Bader R.F.W., Slee T.S., Cremer D., and Kraka E. J. Am. Chem. Soc. 105 (1983) 5061
65. Cremer D., Kraka E., Slee T.S., Bader R.F.W., Lau C.D.H., Nguyen-Dang T.T., and MacDougall P.J. J. Am. Chem. Soc. 105 (1983) 5069
66. K. Mierzwicki, Z. Latajka, unpublished results.
67. Gajewski G., Mierzwicki K., and Latajka Z. Chem. Phys. Lett. 369 (2003) 139
68. Edgecombe K.E., Smith V.H., and Muller-Plathe F. Z. Naturforsch. 48a (1993) 127
69. Pendás A.M., Blanco M.A., Costales A., Sánchez P.M., and Luana V. Phys. Rev. Lett. 83 (1999) 1930
70. J. Moc, K. Bober, work in progress.