Structural versatility in polyoxometalates and in some linear trimetallic complexes: An electronic interpretation

Journal of Cluster Science

Volumn 13, Issue 3, 2002, Pages 333-353

  Rohmer, Marie Madeleine ^a   Bénard, Marc ^a  

^a UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

Antiferromagnetic coupling; Bond stretch isomerism; DFT; Dipyridylamide; dpa; Molecular orbitals; Polyoxometalates; Potential energy surfaces; Trinuclear complexes

Indexed keywords

CHROMIUM DERIVATIVE; COBALT COMPLEX; METAL COMPLEX;

CALCULATION; CHEMICAL BOND; COMPLEX FORMATION; CONFERENCE PAPER; CRYSTAL STRUCTURE; ELECTRON TRANSPORT; ELECTRONICS; ENERGY; GEOMETRY; ISOMERISM; MOLECULAR DYNAMICS; MOLECULE; ROOM TEMPERATURE; SURFACE PROPERTY;

EID: 0142010593     PISSN: 10407278     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1020546915168     Document Type: Conference Paper

References (58)

1. (a) S. Masamune, Y. Kabe, S. Collins, D. J. Williams, and R. Jones (1985). J. Am. Chem. Soc. 107, 5552.
2. (b) R. Jones, D. J. Williams, Y. Kabe, and S. Masamune (1986). Angew. Chem., Int. Ed. Engl. 25, 173.
3. (c) P. v. R. Schleyer, A. F. Sax, J. Kalcher, and R. Janoschek (1987). Angew. Chem., Int. Ed. Engl. 26, 364.
4. (d) S. Nagase (1995). Acc. Chem. Res. 28, 469.
5. W. D. Stohrer and R. Hoffmann (1972). J. Am. Chem. Soc. 94, 779; 1661.
6. (a) G. Parkin (1993). Chem. Rev. 93, 887.
7. (b) G. Parkin (1992). Acc. Chem. Res. 25, 455.
8. (c) K. Yoon and G. Parkin (1991). J. Am. Chem. Soc. 113, 8414.
9. (d) K. Yoon and G. Parkin (1992). Inorg. Chem. 31, 1656.
10. (e) F. A. Cotton, M. Kohli, R. L. Luck, and J. V. Silverton (1993). Inorg. Chem. 32, 1868.
11. M.-M. Rohmer and M. Bénard (2001). Chem. Soc. Rev. 30, 340.
12. (a) J. A. Boatz and M. S. Gordon (1989). J. Phys. Chem. 93, 2888.
13. (b) S. Nagase and M. Nakano (1988). J. Chem. Soc., Chem. Commun. 1077.
14. (c) E. R. Davidson (1998). Chem. Phys. Lett. 284, 301.
15. R. Boese, J. Benet-Buchholz, A. Stanger, K. Tanaka, and F. Toda (1999). Chem. Commun. 319.
16. J. E. McGrady (2000). Angew. Chem., Int. Ed. Engl. 39, 3077.
17. (a) A. A. Palacios, G. Aullón, P. Alemany, and S. Alvarez (2000). Inorg. Chem. 39, 3166.
18. (b) X.-Y. Liu, A. A. Palacios, J. J. Novoa, and S. Alvarez (1998). Inorg. Chem. 37, 1202.
19. (c) S. Alvarez, A. A. Palacios, and G. Aullón (1999). Coord. Chem. Rev. 185-186, 431.
20. (d) C. Mealli and A. Orlandini, in P. Braunstein, L. A. Oro, and P. R. Raithby (eds.), Metal Clusters in Chemistry (Wiley-VCH, Weinheim, 1999), Vol. 1, pp. 143-162.
21. J. Song and M. B. Hall (1991). Inorg. Chem. 30, 4433.
22. T. Kudo and S. Nagase (1992). J. Phys. Chem. 96, 9189.
23. H. Jacobsen, H. W. Schmalle, A. Messmer, and H. Berke (2000). Inorg. Chim. Acta 306, 153.
24. N. Ashkenazi, A. Vigalok, S. Parthiban, Y. Ben-David, L. J. W. Shimon, J. M. L. Martin, and D. Milstein (2000). J. Am. Chem. Soc. 122, 8797.
25. F. A. Cotton, L. M. Daniels, and G. T. Jordan IV (1997). Chem. Commun. 421.
26. R. Clérac, F. A. Cotton, L. M. Daniels, K. R. Dunbar, C. A. Murillo, and X. Wang (2001). Inorg. Chem. 40, 1256 and references therein.
27. R. Clérac, F. A. Cotton, L. M. Daniels, K. R. Dunbar, K. Kirschbaum, C. A. Murillo, A. A. Pinkerton, A. J. Schultz, and X. Wang (2000). J. Am. Chem. Soc. 122, 6226.
28. R. Clérac, F. A. Cotton, L. M. Daniels, K. R. Dunbar, C. A. Murillo, and I. Pascual (2000). Inorg. Chem. 39, 748.
29. R. Clérac, F. A. Cotton, L. M. Daniels, K. R. Dunbar, C. A. Murillo, and X. Wang (2001). J. Chem. Soc., Dalton Trans. 386.
30. (a) ADF User's Guide, Release 1999; Chemistry Department, Vrije Universiteit, Amsterdam, The Netherlands, 1999.
31. (b) E. J. Baerends, D. E. Ellis, and P. Ros (1973). Chem. Phys. 2, 41.
32. (c) G. te Velde and E. J. Baerends, in E. Clementi and G. Corongiu (eds.), Methods and Techniques in Computational Chemistry: METECC-95 (STEF, Cagliari, Italy, 1995), pp. 305-395.
33. (a) A. D. Becke (1986). J. Chem. Phys. 84, 4524.
34. (b) A. D. Becke (1988). Phys. Rev. A 38, 3098.
35. (c) J. P. Perdew (1986). Phys. Rev. B 33, 8882.
36. (d) J. P. Perdew (1986). Phys. Rev. B 34, 7406.
37. (a) J. G. Snijders, E. J. Baerends, and P. Vernooijs (1982). At. Nucl. Tables 26, 483.
38. (b) P. Vernooijs, E. J. Baerends, and J. G. Snijders, Slater Type Basis Functions for the Whole Periodic System, Internal Report (Free University of Amsterdam, The Netherlands, 1981).
39. M.-M. Rohmer, A. Strich, M. Bénard, and J.-P. Malrieu (2001). J. Am. Chem. Soc. 123, 9126.
40. S. Shaik, A. Shurki, D. Danovich, and P. C. Hiberty (2001). Chem. Rev. 101, 1501.
41. N. Benbellat, M.-M. Rohmer, and M. Bénard (2001). Chem. Comm. 2368.
42. J. P. Malrieu (1986). New J. Chim. 10, 61.
43. (a) G. Berthier (1985). Can. J. Chem. 63, 1681.
44. (b) S. S. Shaik and R. Bar (1984). Nouv. J. Chim. 8, 411.
45. (c) S. S. Shaik, P. C. Hiberty, J. M. Lefour, and G. Ohannessian (1987). J. Am. Chem. Soc. 109, 363.
46. (d) S. S. Shaik, P. C. Hiberty, G. Ohannessian, and J. M. Lefour (1988). J. Phys. Chem. 92, 5086.
47. (e) S. S. Shaik, P. C. Hiberty, G. Ohannessian, and J. M. Lefour (1985). Nouv. J. Chim. 9, 385.
48. (f) P. C. Hiberty, G. Ohannessian, S. S. Shaik, and J. P. Flament (1993). Pure & Appl. Chem. 65, 35.
49. M.-M. Rohmer and M. Bénard (1998). J. Am. Chem. Soc. 120, 9372.
50. F. A. Cotton (1998). Inorg. Chem. 37, 5710.
51. (a) M. B. Robin and P. Day (1967.) Adv. Inorg. Chem. Radiochem. 10, 247.
52. (b) P. H. Citrin and A. P. Ginsberg (1981). J. Am. Chem. Soc. 103, 3673.
53. (c) C. M. Elliott, D. L. Derr, D. V. Matyushov, and M. D. Newton (1998). J. Am. Chem. Soc. 120, 11714, and references therein.
54. E. J. Houser, T. B. Rauchfuss, and S. R. Wilson (1993). Inorg. Chem. 32, 4069.
55. Q. Feng, T. B. Rauchfuss, and S. R. Wilson (1995). J. Am. Chem. Soc. 117, 4702.
56. M.-M. Rohmer, M. Bénard, E. Cadot, and F. Sécheresse, in M. T. Pope and A. Müller (eds.), Polyoxometalate Chemistry: From Topology via Self-Assembly to Applications (Kluwer Academic, Dordrecht, The Netherlands, 2001), pp. 117-133.
57. E. Cadot, V. Béreau, B. Marg, S. Halut, and F. Sécheresse (1996). Inorg. Chem. 35, 3099.
58. V. Béreau, E. Cadot, H. Bögge, A. Müller, and F. Sécheresse (1999). Inorg. Chem. 38, 5803.