Jahn-Teller distortion geometries and electronic structures of Ga3Ge, GaGe3, and their ions

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 66, Issue 2, 2007, Pages 512-520

  Zhu, Xiaolei ^a,b  

^a NANJING TECH UNIVERSITY   (China)

^b NANJING UNIVERSITY   (China)

Author keywords

Cluster; Electronic state; Ga3Ge; GaGe3; Jahn Teller distortion

Indexed keywords

BINDING ENERGY; COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; IONIZATION; IONS; NATURAL FREQUENCIES; PROBABILITY DENSITY FUNCTION;

CLUSTERS; ELECTRON ATTACHMENT; JAHN TELLER DISTORTION; MULLIKEN POPULATIONS;

GALLIUM ALLOYS;

GALLIUM; GERMANIUM; ION;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CRYSTALLOGRAPHY; ELECTRON; SPECTROSCOPY;

CRYSTALLOGRAPHY; ELECTRONS; GALLIUM; GERMANIUM; IONS; MODELS, CHEMICAL; MODELS, MOLECULAR; SPECTRUM ANALYSIS;

EID: 33845895993     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.02.067     Document Type: Article

References (48)

1. Balasubramanian K. Chem. Phys. Lett. 171 (1990) 58
2. Meier U., Peyerimhoff S.D., and Grein E. Chem. Phys. 150 (1991) 331
3. Al-Laham M.A., and Raghavachari K. J. Chem. Phys. 98 (1993) 8770
4. Feng P.Y., and Balasubramanian K. Chem. Phys. Lett. 296 (1998) 283
5. Balasubramanian K. J. Phys. Chem. A104 (2000) 1969
6. Balasubramanian K., and Zhu X. J. Chem. Phys. 115 (2001) 8858
7. Yi J.Y. Chem. Phys. Lett. 325 (2000) 269
8. Zhu X. J. Mol. Struct. (Theochem) 638 (2003) 99
9. Zhu X., and Zhou Z. J. Mol. Struct. (Theochem) 671 (2004) 105
10. Zhu X. Spectrochim. Acta Part A Mol. Biomol. Spectrosc. 61 (2005) 2730
11. Liu Y., Zhang Q.L., Tittel F.K., Curl R.F., and Smalley R.E. J. Chem. Phys. 85 (1986) 7434
12. O'Brien S.C., Liu Y., Zhang Q.L., Tittel F.K., and Smalley R.E. J. Chem. Phys. 84 (1986) 4074
13. O'Brien S.C., Liu Y., Zhang Q., Heath J.R., Tittel F.K., and Smalley R.E. J. Chem. Phys. 84 (1986) 4074
14. Zhang Q.-L., Liu Y., Curl R.F., Tittel F.K., and Smalley R.E. J. Chem. Phys. 88 (1988) 1670
15. Wang L., Chibante L.P.F., Tittel F.K., Curl R.F., and Smalley R.E. Chem. Phys. Lett. 172 (1990) 335
16. Jin C., Taylor K.J., Conceicao J., and Smalley R.E. Chem. Phys. Lett. 175 (1990) 17
17. Kolenbrander K.D., and Mandich M.L. J. Chem. Phys. 92 (1990) 4759
18. Rinnen K.D., Kolenbrander K.D., DeSantolo A.M., and Mandich M.L. J. Chem. Phys. 96 (1992) 4088
19. VanZee R.J., Li S., and Weltner W.J. J. Chem. Phys. 98 (1993) 4335
20. Roszak S., Majumdar D., and Balasubarmanian K. J. Chem. Phys. 116 (2002) 10238
21. Majumdar D., Roszak S., and Balasubarmanian K. J. Chem. Phys. 118 (2003) 130
22. Zhao C., and Balasubramanian K. J. Chem. Phys. 120 (2004) 10501
23. Aronold C.C., and Neumark D.M. J. Chem. Phys. 100 (1994) 1797
24. Aronold C.C., and Neumark D.M. J. Chem. Phys. 99 (1994) 3353
25. Xu C., deBeer E., Arnold D.W., Aronold C.C., and Neumark D.M. J. Chem. Phys. 101 (1994) 5406
26. Aronold C.C., and Neumark D.M. Can. J. Phys. 72 (1994) 1322
27. Xu C., Burton G.R., Taylor T.R., and Neumark D.M. J. Chem. Phys. 107 (1997) 3428
28. Xu C., Taylor T.R., Burton G.R., and Neumark D.M. J. Chem. Phys. 108 (1998) 1395
29. Taylor T.R., Asmis K.R., Xu C.S., and Neumark D.M. Chem. Phys. Lett. 297 (1998) 133
30. Xu C., Taylor T.R., Burton G.R., and Neumark D.M. J. Chem. Phys. 108 (1998) 1395
31. Asmis K.R., Taylor T.R., and Neumark D.M. Chem. Phys. Lett. 308 (1999) 347
32. Taylor T.R., Gomez H., Asmis K.R., and Neumark D.M. J. Chem. Phys. 115 (2001) 4620
33. Wang E.G. Prog. Mater. Sci. 41 (1997) 241
34. Molina B., and Sansores L.E. Int J. Quantum Chem. 80 (2000) 249
35. Anteney I.M., Parker G.J., et al. Appl. Phys. Lett. 77 (2000) 561
36. Riley F.L. J. Am. Ceram. Soc. 83 (2000) 245
37. Raju C.B., Verma S., Sahu M.N., Jain P.K., and Choudary S. Indian J. Eng. Mater. Sci. 8 (2001) 36
38. Ching W.Y., Mo S.D., and Oyuang L. Phys. Rev. B 63 (2001) 245110
39. Kalcher J. Phys. Chem. Chem. Phys. 4 (2002) 3311
40. Fujiwara M., et al. Appl. Opt. 42 (2003) 2166
41. Zhang J.-C., Payne M.C., Feng Y.P., and Lim A.T.-L. Phys. Rev. B 67 (2003) 153105
42. Balasubramanian K. Relativistive Effects in Chenistry (1997), Wiley-Interscience, New York
43. Hurley M.M., Luis, Pacios F., and Christianson P.A. J. Chem. Phys. 84 (1986) 6840
44. LaJohn L.A., and Christianson P.A. J. Chem. Phys. 87 (1987) 2812
45. Hurley M., Pacios L.F., Christiansen P.A., Ross R.B., and Ermler W.C. J. Chem. Phys. 84 (1986) 6840
46. Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S.J., Windus T.L., Dupuis M., and Montgomery J.A. J. Comput. Chem. 14 (1993) 1347
47. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, et al., 1995, Gaussian 94 (Revision D.1).
48. Zhu X. Spectrochim. Acta Part A. Mol. Biomol. Spectrosc. 62 (2005) 596