Structural dichotomy in six-coordinate d0 complexes: Trigonal prismatic ((t)Bu3SiC≡C)6Ta- and octahedral ((t)Bu3SiC≡C)6M2- (M = Zr, Hf)

Journal of the American Chemical Society

Volumn 120, Issue 39, 1998, Pages 10067-10079

  Vaid, Thomas P ^a   Veige, Adam S ^a   Lobkovsky, Emil B ^a   Glassey, Wingfield V ^a   Wolczanski, Peter T ^a   Liable Sands, Louise M ^b   Rheingold, Arnold L ^b   Cundari, Thomas R ^c  

^a Department of Obstetrics Gynecology   (United States)

^b UNIVERSITY OF DELAWARE   (United States)

^c University of Memphis   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HAFNIUM; POLYACETYLIDE; TANTALUM; UNCLASSIFIED DRUG; ZIRCONIUM DICHLORIDE;

ARTICLE; CHEMICAL BINDING; COMPLEX FORMATION; CRYSTAL STRUCTURE; MATHEMATICAL COMPUTING; METAL BINDING; STRUCTURE ANALYSIS;

EID: 0032494420     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9802899     Document Type: Article

References (27)

1. (1)(a) Gillespie, R. J.; Hargittai, I. The VSEPR Model of Molecular Geometry; Allyan and Bacon: Boston, 1991.
2. (b) Gillespie, R. J.; Nyholm, R. S. Q. Rev. Chem. Soc. 1957, 11, 339-380.
3. Kang, S. K.; Tang, H.; Albright, T. A. J. Am. Chem. Soc. 1993, 115, 1971-1981.
4. Kang, S. K.; Albright, T. A.; Eisenstein, O. Inorg. Chem. 1989, 28, 1611-1613.
5. Demolliens, A.; Jean, Y.; Eisenstein, O. Organometallics 1986, 5, 1457-1464.
6. Morse, P. M.; Girolami, G. S. J. Am. Chem. Soc. 1989, 111, 4114-4116.
7. (a) Shortland, A. J.; Wilkinson, G. J. Chem. Soc., Dalton Trans. 1973, 872-876.
8. (b) Calyer, A. L.; Wilkinson, G. J. Chem. Soc., Dalton Trans. 1976, 2235-2238.
9. Haaland, A.; Hammel, A.; Rypdal, K.; Volden, H. V. J. Am. Chem. Soc. 1990, 772, 4547-4559.
10. Pfennig, V.; Seppelt, K. Science 1996, 277, 626-628.
11. Kaupp, M. J. Am. Chem. Soc. 1996, 188, 3018-3024.
12. (a) Guo, B. C.; Kearns, K. P.; Castleman, A. W. Science 1992, 255, 1411-1413.
13. (b) Guo, B. C.; Wei, S.; Purnell, J.; Buzza, S.; Castleman, A. W. Science 1992, 256, 515-516.
14. (c) Wei, S.; Guo, B. C.; Purnell, J.; Buzza, S.; Casueman, A. W. Science 1992, 250, 818-820.
15. (d) Cartier, S. F.; Chen, Z. Y.; Walder, G. J.; Sleppy, C. R.; Castleman, A. W. Science 1993, 260, 195-196.
16. Hoffmann, R. Angew. Chem., Int. Ed. Engl. 1988, 27, 1593-1602.
17. Pauling, L. The Nature of the Chemical Bond, 3rd ed.; Cornell University Press: Ithaca, NY, 1960; pp 172-174.
18. Cowie, M.; Bennett, M. J. Inorg. Chem. 1976, 15, 1595-1603.
19. Cowie, M.; Bennett, M. J. Inorg. Chem. 1976, 15, 1589-11594.
20. Cowie, M.; Bennett, M. J. Inorg. Chem. 1976, 15, 1584-1588.
21. Larsen, E.; LaMar, G. N.; Wagner, B. E.; Parks, J. E.; Holm, R. H. Inorg. Chem. 1972, 11, 2652-2668.
22. Szabo, A.; Ostlund, N. S. Modern Quantum Chemistry; McGrawHill: New York, 1989; pp 149-152.
23. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200-1211.
24. Becke, A. D. J. Chem. Phys. 1986, 84, 4524-4529.
25. Becke, A. D. Phys. Rev. A 1988, 38, 3098-3100.
26. (a) Perdew, J. P. Phys. Rev. B 1986, 33, 8822-8824.
27. (b) Perdew, J. P. Phys. Rev. B 1986, 34, 7406.