Time-Dependent Density Functional Theory Study of the Spectroscopic Properties Related to Aggregation in the Platinum(II) Biphenyl Dicarbonyl Complex

Inorganic Chemistry

Volumn 42, Issue 24, 2003, Pages 7852-7860

  Stoyanov, Stanislav R ^a   Villegas, John M ^a   Rillema, D Paul ^a  

^a WICHITA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; BIPHENYL DERIVATIVE; CARBONYL DERIVATIVE; DIMER; HYDROGEN; MONOMER; PLATINUM COMPLEX;

ABSORPTION; ARTICLE; CHEMICAL BOND; CORRELATION ANALYSIS; COVALENT BOND; DENSITY; DENSITY FUNCTIONAL THEORY; ELECTRIC POTENTIAL; ELECTRICITY; ENERGY TRANSFER; FLAME PHOTOMETRY; GEOMETRY; MATHEMATICAL COMPUTING; METAL BINDING; MOLECULAR MECHANICS; REACTION OPTIMIZATION; SIMULATION; SPECTROSCOPY; SURFACE PROPERTY; THEORY; TIME;

EID: 0344586259     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic030084n     Document Type: Article

References (37)

1. Connick, W. B.; Marsh, R. E.; Schaefer, W. P.; Gray, H. B. Inorg. Chem. 1997, 36, 912-922.
2. Ratilla, E. M. A.; Scott, B. K.; Moxness, M. S.; Kostic, N. M. Inorg. Chem. 1990, 20, 918-926.
3. Gliemann, G.; Yersin, H. Struct. Bonding (Berlin) 1985, 62, 87-161.
4. Miskowski, V. M.; Houlding, V. H. Inorg. Chem. 1991, 30, 4446-4452.
5. Interrante, L. V.; Messmer, R. P. In Extended Interactions between Metal Ions in Transition Metal Complexes; Interrante, L. V., Ed.; ACS Symposium Series 5; American Chemical Society: Washington, DC, 1974; p 382.
6. Zheng, G. Y.; Rillema, D. P. Inorg. Chem. 1998, 37, 1392-1397.
7. Ardasheva, L. P.; Shagisultanova, G. A. Zh. Neorg. Khim. 1998, 43, 92-99.
8. Fleeman, W. L.; Connick, W. B. Spectrum (Bowling Green, OH, US) 2002, 15, 14-19.
9. Chan, C. W.; Lai, T. F.; Che, C. M.; Peng, S. M. J. Am Chem. Soc. 1993, 115, 11245-11253.
10. Villegas, J. M.; Stoyanov, S. R.; Rillema, D. P. Inorg. Chem. 2002, 41, 6688-6694.
11. D'Souza, F.; Zandler, M. E.; Smith, P. M.; Deviprasad, G. R.; Klykov, A. ; Fujitsuka, M.; Ito, O. J. Phys. Chem. A 2002, 106, 649-656.
12. Cooper, J.; Ziegler, T. Inorg. Chem. 2002, 41, 6614-6622.
13. Monat, J. E.; Rodriguez, J. H.; McCusker, J. K. J. Phys. Chem. A 2002, 106, 7399-7406.
14. Rodrigues, J. H.; Wheeler, D. E.; McCusker, J. K. J. Am. Chem. Soc. 1998, 120, 12051-12068.
15. Zheng, K.; Wang, J.; Peng, W.; Liu, X.; Yun, F. J. Phys. Chem. A 2001, 105, 10899-10905.
16. Farrell, I. R.; van Slageren, J.; Zalis, S.; Vlcek, A. Inorg. Chim. Acta 2001, 315, 44-52.
17. Nguyen, K. A.; Kennel, J.; Pachter, R. J. Chem. Phys. 2002, 117, 7128-7136.
18. Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652.
19. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B: Condens. Matter Mater. Phys. 1988, 37, 785-789.
20. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200-1211.
21. Andrae, D.; Hauessermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990,77, 123-141.
22. McLean, A. D.; Chandler, G. S. J. Chem. Phys. 1980, 72, 5639.
23. Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. Chem. Phys. 1980, 72, 650.
24. Chen, Y.; Merkert, J. W.; Murtaza, Z.; Woods, C.; Rillema, D. P. Inorg. Chim. Acta 1995, 240, 41-47.
25. Trucks, G. W.; Frisch, M. J. Rotational Invariance Properties of Pruned Grids for Numerical Integration. In preparation, 1998.
26. Stratmann, R. E.; Scuseria, G. E.; Frisch, M. J. J. Chem. Phys., submitted for publication, 1998.
27. Bauernschmitt, R.; Ahlrichs, R. Chem. Phys. Lett. 1996, 256, 454.
28. Casida, M. E.; Jamorski, C.; Casida, K. C.; Salahub, D. R. J. Chem. Phys. 1998, 108, 4439.
29. Drago, R. S. Physical Methods for Chemists, 2nd ed.; Saunders College Publishing: Ft. Worth, FL, 1977; p 123.
30. Horvath, O.; Stevenson, K. L. Charge Transfer Photochemistry of Coordination Compounds; VCH Publishers: New York, 1993; pp 10-12.
31. Buchs, M.; Daul, C. Chimia 1998, 52, 163-166.
32. Stoyanov, S. R.; Villegas, J. M.; Rillema, D. P. Inorg. Chem. 2002, 41, 2941-2945.
33. Rice, S. F.; Gray, H. B. J. Am. Chem. Soc. 1983, 105, 4571-4575.
34. Bär, L.; Gliemann, G. Chem. Phys. Lett. 1984, 108, 14.
35. Hidvegi, I.; von Ammon, W.; Gliemann, G. J. Chem. Phys. 1982, 76, 4361-4369.
36. Krogmann, K. Angew. Chem., Int. Ed. Engl. 1969, 8, 35-42.
37. Roundhill, R. D.; Gray, H. B.; Che, C.-M. Acc. Chem. Res. 1989, 22, 55-61.