Geometrical Characteristics and Atomic Charge Variations of Pd(II) Complexes [Pd(L)Cl2] with an Axial (Pd⋯O) Interaction

Bulletin of the Korean Chemical Society

Volumn 25, Issue 1, 2004, Pages 85-89

  Park, Jong Keun ^a   Cho, Yong Guk ^b   Lee, Shim Sung ^b   Kim, Bong Gon ^b  

^a Pusan National University   (South Korea)

^b Gyeongsang National University   (South Korea)

Author keywords

Atomic charge; Axial (Pd O) interaction; Density functional theory; Oxathia macrocycle; Pd(II) complex

Indexed keywords

CHLORIDE; MACROCYCLIC COMPOUND; OXYGEN; PALLADIUM; PALLADIUM COMPLEX; SULFUR;

AB INITIO CALCULATION; ARTICLE; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRIC POTENTIAL; ELECTRON TRANSPORT; ENERGY; GEOMETRY; MOLECULAR STABILITY; PARAMETER; POLARIZATION; STRUCTURE ANALYSIS; TECHNIQUE;

EID: 1642462302     PISSN: 02532964     EISSN: None     Source Type: Journal    
DOI: 10.5012/bkcs.2004.25.1.085     Document Type: Article

References (31)

1. Blake, A. J.; Holder, A. J.; Hyde, T. I.; Roberts, Y. V.; Lavery, A. J.; Schröder, M. J. Organomet. Chem. 1987, 323, 261.
2. Blake, A. J.; Holder, A. J.; Hyde, T. I.; Schröder, M. J. Chem. Soc. Chem. Commun. 1989, 1433.
3. Blake, A. J.; Reid, G.; Schröder, M. J. Chem. Soc. Dalton Trans. 1990, 3363.
4. Blake, A. J.; Crofts, R. D.; de Groot, B.; Schröder, M. J. Chem. Soc. Dalton Trans. 1993, 485.
5. Blake, A. J.; Gould, R. O.; Radek, C.; Schröder, M. J. Chem. Soc. Dalton Trans. 1995, 4045.
6. Danks, J. P.; Champness, N. R.; Schröder, M. Coordition Chemistry Reviews 1998, 174, 417.
7. Blake, A. J.; Gilby, L. M.; Gould, R. O.; Lippolis, V.; Parsons, S.; Schröder, M. Acta Cryst. 1998, C54, 295.
8. Hunter, G.; McAuley, A.; Whitcombe, T. W. Inorg. Chem. 1988, 27, 2634.
9. Chak, B.; McAuley, A.; Whitcombe, T. W. Can. J. Chem. 1994, 72, 1525.
10. Chak, B.; McAuley, A.; Whitcombe, T. W. Inorg. Chim. Acta 1996, 246, 349.
11. Lucas, C. R.; Liu, S. Inorg. Chim. Acta 1995, 230, 133.
12. Lucas, C. R.; Liang, W.; Miller, D. O.; Bridson, J. N. Inorg. Chem. 1997, 36, 4508.
13. Lai, Y.-H.; Ma, L.; Mok, K. F. New J. Chem. 1997, 21, 985.
14. Luis, S. V.; Frias, J. C.; Burguete, M. I.; Bolte, M. Acta Cryst. 1998, C54, 1093.
15. Yoon, I.; Yoo, B. S.; Lee, S. S.; Kim, B. G. Acta Cryst. 2000, C56, 758.
16. Park, K.-M.; Yoon, I.; Yoo, B. S.; Choi, J. B.; Lee, S. S.; Kim, B. G. Acta Cryst. 2000, C56, 1191.
17. Grant, G. J.; Galas, D. F.; Jones, M. W.; Loveday, K. D.; Pennington, W. T.; Schimek, G. L.; Eagle, C. T.; VanDerveer, D. G. Inorg. Chem. 1998, 37, 5299.
18. Huheey, J. E.; Keiter, E. A.; Keiter, E. L. Inorganic Chemistry: Principles of Structure and Reactivity, 4th ed.; Harper Collins: New York, 1993; p 292.
19. Mais, R. H. B.; Owston, P. G.; Wood, A. M. Acta Cryst. 1972, B28, 393.
20. Park, J. K.; Kim, J. S. Bull. Korean Chem. Soc. 2000, 21, 1031.
21. Kim, B.-G.; Min, K.-S.; Lee, B.-W.; Doh, M.-K. Bull. Korean Chem. Soc. 1998, 19, 482.
22. Frish, M. J.; Trucks, G. W.; Head-Gordon, M. H.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian 98; Gaussina Inc.: Pittsburgh, PA, 1998.
23. Andzelm, J.; Wimmer, E. J. Chem. Phys. 1992, 96, 1280; Andzelm, J.; Wimmer, E.; Salahub, D. R. The Challenge of d- and f-Electrons: Theory and Computation; Salahub, D. R.; Zerner, M. C., Eds.; ACS Symposium Series, No. 394; American Chemical Society: Washington D. C., 1989; p 228 and references therein; Andzelm, J. Density Functional Methods in Chemistry; Labanowski, J.; Andzelm, J., Eds.; Springer-Verlag: New York, 1991; p 155 and references therein.
24. Andzelm, J.; Wimmer, E. J. Chem. Phys. 1992, 96, 1280; Andzelm, J.; Wimmer, E.; Salahub, D. R. The Challenge of d- and f-Electrons: Theory and Computation; Salahub, D. R.; Zerner, M. C., Eds.; ACS Symposium Series, No. 394; American Chemical Society: Washington D. C., 1989; p 228 and references therein; Andzelm, J. Density Functional Methods in Chemistry; Labanowski, J.; Andzelm, J., Eds.; Springer-Verlag: New York, 1991; p 155 and references therein.
25. Andzelm, J.; Wimmer, E. J. Chem. Phys. 1992, 96, 1280; Andzelm, J.; Wimmer, E.; Salahub, D. R. The Challenge of d- and f-Electrons: Theory and Computation; Salahub, D. R.; Zerner, M. C., Eds.; ACS Symposium Series, No. 394; American Chemical Society: Washington D. C., 1989; p 228 and references therein; Andzelm, J. Density Functional Methods in Chemistry; Labanowski, J.; Andzelm, J., Eds.; Springer-Verlag: New York, 1991; p 155 and references therein.
26. Andzelm, J.; Wimmer, E. J. Chem. Phys. 1992, 96, 1280; Andzelm, J.; Wimmer, E.; Salahub, D. R. The Challenge of d- and f-Electrons: Theory and Computation; Salahub, D. R.; Zerner, M. C., Eds.; ACS Symposium Series, No. 394; American Chemical Society: Washington D. C., 1989; p 228 and references therein; Andzelm, J. Density Functional Methods in Chemistry; Labanowski, J.; Andzelm, J., Eds.; Springer-Verlag: New York, 1991; p 155 and references therein.
27. Becke, A. D. The Challenge of d- and f-Electrons: Theory and Computation; Salahub, D. R.; Zemer, M. C. ACS Symposium Series, No. 394; American Chemical Society: Washington D.C., 1989; p 166; Becke, A. D. Phys. Rev. 1988, A38, 3098.
28. Becke, A. D. The Challenge of d- and f-Electrons: Theory and Computation; Salahub, D. R.; Zemer, M. C. ACS Symposium Series, No. 394; American Chemical Society: Washington D.C., 1989; p 166; Becke, A. D. Phys. Rev. 1988, A38, 3098.
29. Becke, A. D. The Challenge of d- and f-Electrons: Theory and Computation; Salahub, D. R.; Zemer, M. C. ACS Symposium Series, No. 394; American Chemical Society: Washington D.C., 1989; p 166; Becke, A. D. Phys. Rev. 1988, A38, 3098.
30. Perdew, J. P. Phys. Rev. 1986, B33, 8822.
31. Hay, P. J. J. Am. Chem. Soc. 1981, 103, 1390.