Charge-transfer induced large nonlinear optical properties of small Al clusters: Al4M4 (M = Li, Na, and K)

Journal of Physical Chemistry A

Volumn 108, Issue 44, 2004, Pages 9527-9530

  Datta, Ayan ^a   Pati, Swapan K ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; AROMATIC COMPOUNDS; CHARGE TRANSFER; GROUND STATE; MATHEMATICAL MODELS; OPTICAL PROPERTIES; PARAMETER ESTIMATION; POLARIZATION;

ALKALI ATOMS; BOND LENGTH ALTERATIONS (BLA); CLUSTERS; DELOCALIZATIONS;

ALUMINUM COMPOUNDS;

EID: 9144223102     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047204c     Document Type: Article

References (46)

1. (a) Prasad, P. N.; Williams, D. J. Introduction to Nonlinear Optical Effects in Molecules and Polymers; Wiley: New York, 1991.
2. (b) Nonlinear Optical Materials; Karna, S. P., Yeates, A. T., Eds.; ACS Symposium Series 628; American Chemical Society: Washington, DC, 1996.
3. Williams, D. J. Angew. Chem., Int. Ed. Engl. 1984, 23, 690.
4. Marks, T. J.; Ratner, M. A. Angew. Chem., Int. Ed. Engl. 1995, 34, 155.
5. (a) Li, D.; Marks, T. J.; Ratner, M. A. J. Phys. Chem. 1992, 96, 4325.
6. (b) Ramasesha, S.; Soos, Z. G. Chem. Phys. Lett. 1988, 158, 171.
7. Kuzyk, M. G. Phys. Rev. Lett 2000, 85, 1218.
8. Helgaker, T.; Jorgensen, P.; Olsen, J. Molecular Electronic-Structure Theory; John Wiley & Sons: New York, 2000.
9. Rao, B. K.; Jena, P. J. Chem. Phys. 2000, 113, 1508.
10. (a) Wu, K.; Chen, X.; Snijders, J. G.; Sa, R.; Lin, C.; Zhuang, B. J. Cryst. Growth 2002, 237, 663.
11. (b) Maroulis, G.; Pouchan, C. J. Phys. Chem. B 2003, 107, 10683.
12. Shetty, S.; Kanhare, D. G.; Pal, S. J. Phys. Chem. A 2004, 108, 628.
13. Kuznetsov, A.; Birch, K.; Boldyrev, A. I.; Li, X.; Zhai, H.; Wang, L. Science 2003, 300, 622.
14. Chen, Z.; Corminboeuf, C.; Heine, T.; Bohmann, J.; Schleyer, P. V. R. J. Am. Chem. Soc. 2003, 125, 13930.
15. (a) Becke, A. D. J. Chem. Phys. 1993, 98, 1372.
16. (b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
17. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A. J. Comput. Chem. 1993, 14, 1347.
18. Chacko, S.; Deshpande, M.; Kanhare, D. G. Phys. Rev. B 2001, 64, 155409.
19. Ridley, J.; Zerner, M. C. Theor. Chim. Acta 1973, 32, 111. Bacon, A. D.; Zerner, M. C. Theor. Chim. Acta 1979, 53, 21.
20. Ridley, J.; Zerner, M. C. Theor. Chim. Acta 1973, 32, 111. Bacon, A. D.; Zerner, M. C. Theor. Chim. Acta 1979, 53, 21.
21. Buenker, R. J.; Peyerimhoff, S. D. Theor. Chim. Acta 1974, 35, 33.
22. Shuai, Z.; Beljonne, D.; Bredas, J. L. J. Chem. Phys. 1992, 97, 1132.
23. Beljonne, D.; Shuai, Z.; Cornil, J.; dos Santos, D.; Bredas, J. L. J. Chem. Phys. 1999, 111, 2829.
24. Ramasesha, S.; Soos, Z. G. Chem. Phys. Lett. 1988, 153, 171. Soos, Z. G.; Ramasesha, S. J. Chem. Phys. 1989, 90, 1067.
25. Ramasesha, S.; Soos, Z. G. Chem. Phys. Lett. 1988, 153, 171. Soos, Z. G.; Ramasesha, S. J. Chem. Phys. 1989, 90, 1067.
26. Ramasesha, S.; Shuai, Z.; Bredas, J. L. Chem. Phys. Lett. 1995, 245, 224. Albert, I. D. L.; Ramasesha, S. J. Phys. Chem. 1990, 94, 6540.
27. Ramasesha, S.; Shuai, Z.; Bredas, J. L. Chem. Phys. Lett. 1995, 245, 224. Albert, I. D. L.; Ramasesha, S. J. Phys. Chem. 1990, 94, 6540.
28. Ramasesha, S.; Albert, I. D. L. Phys. Rev. B 1990, 42, 8587.
29. (a) Datta, A.; Pati, S. K. J. Chem. Phys. 2003, 118, 8420.
30. (b) Datta, A.; Pati, S. K. J. Phys. Chem. A 2004, 108, 320.
31. (c). Beljonne, D.; Cornil, J.; Friend, R. H.; Janssen, R. A. J.; Bredas, J. L. J. Am. Chem. Soc. 1996, 118, 6453.
32. (a) Pati, S. K.; Ramasesha, S.; Shuai, Z.; Bredas, J. L. Phys. Rev. B 1999, 59, 14827.
33. (b). Pati, S. K.; Marks, T. J.; Ratner, M. A. J. Am. Chem. Soc. 2001, 123, 7287.
34. Pearson, R. G. Inorg. Chem. 1988, 27, 734.
35. March, J. Advanced Organic Chemistry: Reactions, Mechanisms and Structure, 4th ed.; John Wiley and Sons: New York, 1992.
36. Ramasesha, S.; Shuai, Z.; Bredas, J. L. Chem. Phys. Lett. 1996, 250, 14.
37. (a) Armstrong, J. A.; Bloembergen, N.; Ducuing, J.; Pershan, P. S. Phys. Rev. 1962, 127, 1918.
38. (b) Ward, J. Rev. Mod. Phys. 1965, 37, 1.
39. (c) Pati, S. K.; Marks, T. J.; Ratner, M. A. J. Am. Chem. Soc. 2001, 123, 7287.
40. Marder, S. R.; Perry, J. W.; Bourhill, G.; Gorman, C. B.; Tiemann, B. G.; Mansour, K. Science 1993, 261, 186.
41. Ward, J. F.; Elliot, D. S. J. Chem. Phys. 1978, 69, 5438.
42. Li, J.; Duan, C.-g.; Gu, Z.-q.; Wang, D.-s. Phys. Rev. B 1998, 57, 6925.
43. Theologitis, M.; Screttas, G. C.; Rapis, S. G.; Papadopoulos, M. G. Int. J. Quantum Chem. 1999, 72, 177.
44. Papadopoulos, M. G.; Raptis, S. G.; Demetropoulos, I. N. Mol. Phys. 1997, 92, 547.
45. Korambath, P. P.; Karna, S. P. J. Phys. Chem. A. 2000, 104, 4801.
46. Mercero, J. M.; Ugalde, J. M. J. Am. Chem. Soc. 2004, 126, 3380.