Electronic origin for enhanced nonlinear optical response of complexes from tetraalkylammonium halide and carbon tetrabromide: Electrostatic potentials of intermolecular donor-acceptor dyads

Chemistry - A European Journal

Volumn 12, Issue 26, 2006, Pages 6880-6887

  Cheng, Wendan ^a   Shen, Juan ^a   Wu, Dongsheng ^a   Li, Xiaodong ^a   Lan, Youzhao ^a   Li, Feifei ^a   Huang, Shuping ^a   Zhang, Hao ^a   Gong, Yajing ^a  

^a FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

Author keywords

Charge transfer; Electrostatic interactions; Hyperpolarizability; Molecular cluster; Nonlinear optics

Indexed keywords

ELECTROSTATIC INTERACTIONS; HYPERPOLARIZABILITY; MOLECULAR CLUSTER;

AMMONIUM COMPOUNDS; CHARGE TRANSFER; COMPLEXATION; ELECTROSTATICS; MOLECULAR DYNAMICS; SUPRAMOLECULAR CHEMISTRY;

NONLINEAR OPTICS;

AMINE; BROMINATED HYDROCARBON; CARBON TETRABROMIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRICITY; STATIC ELECTRICITY;

AMINES; ELECTROSTATICS; HYDROCARBONS, BROMINATED; MODELS, MOLECULAR; STATIC ELECTRICITY;

EID: 33748539026     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200501415     Document Type: Article

References (43)

1. S. V. Lindeman, J. Hecht, J. K. Kochi, J. Am. Chem. Soc. 2003, 125, 11597.
2. a) O. R. Evans, W. Lin, Acc. Chem. Res. 2002, 35, 511;
3. b) W. Lin, L. Ma, O. R. Evans, Chem. Commun. 2000, 2263;
4. c) O. R. Evans, Z. Wang, R.-G. Xiong, B. M. Foxman, W. Lin, Inorg. Chem. 1999, 38, 2969;
5. d) O. R. Evans, R.-G. Xiong, Z. Wang, G. K. Wong, W. Lin, Angew. Chem. 1999, 111, 557;
6. Angew. Chem. Int. Ed. 1999, 38, 536.
7. O. R. Evans, W. Lin, Chem. Mater. 2001, 13, 2705;
8. O. R. Evans, W. Lin, Chem. Mater. 2001, 13, 3009.
9. R. Thaimattam, C. V. K. Sharma, A. Clearfield, G. R. Desiraju, Cryst. Growth Des. 2001, 1, 103.
10. a) B. F. Hoskins, R. Robson, J. Am. Chem. Soc. 1990, 112, 1546;
11. b) B. F. Hoskins, R. Robson, J. Am. Chem. Soc. 1989, 111, 5962.
12. W. Lin, W. Lin, G. K. Wong, T. J. Marks, J. Am. Chem. Soc. 1996, 118, 8034.
13. T. J. Marks, M. A. Ratner, Angew. Chem. 1995, 107, 167;
14. Angew. Chem. Int. Ed. Engl. 1995, 34, 155.
15. H. E. Katz, W. L. Wilson, G. Scheller, J. Am. Chem. Soc. 1994, 116, 6636.
16. a) D. S. Reddy, D. C. Craig, G. R. Desiraju, Chem. Commun. 1994, 1457;
17. b) D. S. Reddy, D. C. Craig, A. D. Rae," G. R. Desiraju, Chem. Commun. 1993, 1737.
18. a) A. J. Stone, The theory of intermolecular forces, Oxford University Press, 1996;
19. b) H. Ratajczak, W. J. Orvill-Thomas, Molecular interactions, Wiley, 1980.
20. a) D. Bragal, L. Maini, M. Polito, F. Grepioni, Struct. Bonding (Berlin) 2004, 111, 1;
21. b) L. Brammer, Chem. Soc. Rev. 2004, 33, 476.
22. D. S. Chemla, J. Zyss, Nonlinear optical properties of organic moleculaes and crystals, Academic Press, 1987.
23. M. Guillaume, E. Botek, B. Champagne, F. Castet, L. Ducasse, J. Chem. Phys. 2004, 121, 7390.
24. W.-D. Cheng, D.-S. Wu, H. Zhang, X.-D. Li, D.-G. Chen, Y.-Z. Lang, Y.-C. Zhang, Y.-J. Gong, J. Phys. Chem. B 2004, 108, 12658.
25. L. Jensen, P.-O. Strand, A. Osted, J. Kongsted, K. V. Mikklsen, J. Chem. Phys. 2002, 116, 4001.
26. G. Maroulisa, J. Chem. Phys. 2000, 113, 1813.
27. D. R. Kanis, M. A. Ratner, T. J. Marks, Chem. Rev. 1994, 94, 195.
28. a) S. DeBella, I. L. Fragala, M. A. Ratner, T. J. Marks, J. Am. Chem. Soc. 1993, 115, 682;
29. b) S. DeBella, M. A. Ratner, T. J. Marks, J. Am. Chem. Soc. 1992, 114, 5842.
30. T. Yasukawa, T. Kimura, M. Uda, Chem. Phys. Lett. 1990, 169, 219.
31. K. V. Mikkelsen, M. A. Ratner, J. Phys. Chem. 1989, 93, 1759.
32. J. Zyss, G. Berthier, J. Chem. Phys. 1982, 77, 3635.
33. M. E. Casida, C. Jamorski, K. C. Casida, D. R. Salahub, J. Chem. Phys. 1988, 108, 4439.
34. R. Bauernschmitt, R. Ahlrichs, Chem. Phys. Lett. 1996, 256, 454.
35. R. E. Stratman, G. E. Scuseria, M. J. Frisch, J. Chem. Phys. 1998, 109, 8218.
36. Gaussian 03, Revision C02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 2003.
37. J. F. Ward, Rev. Mod. Phys. 1965, 37, 1.
38. B. J. Orr, J. F. Ward, Mol. Phys. 1971, 20.
39. jji), here, i and j run over the molecular Cartesian direction x, y, and 2, and μ is ground-state molecular dipole moment, in summation i = j.
40. 13.
41. 2.
42. (1) is first-order susceptibility;
43. b)R. W. Boy, Nonlinear Optics, Academic Press, San Diego, CA, 1992, pp. 148.