Preparation and molecular structure of Hg{C≡CC≡C[Ru(dppe)Cp *]}2-non-linearity in a molecular rod

Inorganica Chimica Acta

Volumn 350, Issue , 2003, Pages 175-181

  Bruce, Michael I ^a   Halet, Jean François ^b   Le Guennic, Boris ^a,b   Skelton, Brian W ^c   Smith, Mark E ^a   White, Allan H ^c  

^a UNIVERSITY OF ADELAIDE   (Australia)

^b Laboratoire de Chimie du Solide et Inorganique Moleculaire de Rennes   (France)

^c UNIVERSITY OF WESTERN AUSTRALIA   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE;

CARBON ATOMS; CLOSED SHELLS; DFT CALCULATION; ELECTRONIC CONFIGURATION;

MOLECULAR STRUCTURE;

CARBON; MERCURY DERIVATIVE; RUTHENIUM DERIVATIVE;

ARTICLE; MATHEMATICAL COMPUTING; NONLINEAR SYSTEM; OXIDATION REDUCTION REACTION; SOLID STATE;

EID: 0142132703     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0020-1693(02)01543-8     Document Type: Article

References (58)

1. Lapinte C., Paul F. Coord. Chem. Rev. 178-180:1998;431.
2. Bruce M.I. Coord. Chem. Rev. 166:1997;91.
3. U.H.F. Bunz, Angew. Chem. 108 (1996) 1047;
4. Angew. Chem. Int. Ed. Engl. 35 (1996) 969. H. Lang, Angew. Chem. 106 (1994) 569; Angew. Chem. Int. Ed. Engl. 33 (1994) 547.
5. Angew. Chem. Int. Ed. Engl. 35 (1996) 969. H. Lang, Angew. Chem. 106 (1994) 569; Angew. Chem. Int. Ed. Engl. 33 (1994) 547.
6. Angew. Chem. Int. Ed. Engl. 35 (1996) 969. H. Lang, Angew. Chem. 106 (1994) 569; Angew. Chem. Int. Ed. Engl. 33 (1994) 547.
7. Mo/W: B.E. Woodworth, P.S. White, J.L. Templeton, J. Am. Chem. Soc. 119 (1997) 828.
8. Mn: (a) S. Kheradmandan, K. Heinze, H. Schmalle, H. Berke, Angew. Chem. 111 (1999) 2412; Angew. Chem. Int. Ed. 38 (1999) 2270; (b) F.J. Fernandez, O. Blacque, M. Alfonso, H. Berke, Chem. Commun. (2001) 1266.
9. Mn: (a) S. Kheradmandan, K. Heinze, H. Schmalle, H. Berke, Angew. Chem. 111 (1999) 2412; Angew. Chem. Int. Ed. 38 (1999) 2270; (b) F.J. Fernandez, O. Blacque, M. Alfonso, H. Berke, Chem. Commun. (2001) 1266.
10. Mn: (a) S. Kheradmandan, K. Heinze, H. Schmalle, H. Berke, Angew. Chem. 111 (1999) 2412; Angew. Chem. Int. Ed. 38 (1999) 2270; (b) F.J. Fernandez, O. Blacque, M. Alfonso, H. Berke, Chem. Commun. (2001) 1266.
11. Re: (a) Y. Zhou, J.W. Seyler, W. Weng, A.M. Arif, J.A. Gladysz, J. Am. Chem. Soc. 115 (1993) 8509; (b) J.W. Seyler, W. Weng, Y. Zhou, J.A. Gladysz, Organometallics, 12 (1993) 3802; (c) M. Brady, W. Weng, Y. Zhou, J.W. Seyler, A.J. Amoroso, A.M. Arif, M. Böhme, G. Frenking, J.A. Gladysz, J. Am. Chem. Soc. 119 (1997) 775; (d) W.E. Meyer, A.J. Amoroso, C.R. Horn, M. Jaeger, J.A. Gladysz, Organometallics 20 (2001) 1115; (e) V.W.-W. Yam, V.C.-Y. Lau, K.-K. Cheung, Organometallics 15 (1996) 1740.
12. Re: (a) Y. Zhou, J.W. Seyler, W. Weng, A.M. Arif, J.A. Gladysz, J. Am. Chem. Soc. 115 (1993) 8509; (b) J.W. Seyler, W. Weng, Y. Zhou, J.A. Gladysz, Organometallics, 12 (1993) 3802; (c) M. Brady, W. Weng, Y. Zhou, J.W. Seyler, A.J. Amoroso, A.M. Arif, M. Böhme, G. Frenking, J.A. Gladysz, J. Am. Chem. Soc. 119 (1997) 775; (d) W.E. Meyer, A.J. Amoroso, C.R. Horn, M. Jaeger, J.A. Gladysz, Organometallics 20 (2001) 1115; (e) V.W.-W. Yam, V.C.-Y. Lau, K.-K. Cheung, Organometallics 15 (1996) 1740.
13. Re: (a) Y. Zhou, J.W. Seyler, W. Weng, A.M. Arif, J.A. Gladysz, J. Am. Chem. Soc. 115 (1993) 8509; (b) J.W. Seyler, W. Weng, Y. Zhou, J.A. Gladysz, Organometallics, 12 (1993) 3802; (c) M. Brady, W. Weng, Y. Zhou, J.W. Seyler, A.J. Amoroso, A.M. Arif, M. Böhme, G. Frenking, J.A. Gladysz, J. Am. Chem. Soc. 119 (1997) 775; (d) W.E. Meyer, A.J. Amoroso, C.R. Horn, M. Jaeger, J.A. Gladysz, Organometallics 20 (2001) 1115; (e) V.W.-W. Yam, V.C.-Y. Lau, K.-K. Cheung, Organometallics 15 (1996) 1740.
14. Re: (a) Y. Zhou, J.W. Seyler, W. Weng, A.M. Arif, J.A. Gladysz, J. Am. Chem. Soc. 115 (1993) 8509; (b) J.W. Seyler, W. Weng, Y. Zhou, J.A. Gladysz, Organometallics, 12 (1993) 3802; (c) M. Brady, W. Weng, Y. Zhou, J.W. Seyler, A.J. Amoroso, A.M. Arif, M. Böhme, G. Frenking, J.A. Gladysz, J. Am. Chem. Soc. 119 (1997) 775; (d) W.E. Meyer, A.J. Amoroso, C.R. Horn, M. Jaeger, J.A. Gladysz, Organometallics 20 (2001) 1115; (e) V.W.-W. Yam, V.C.-Y. Lau, K.-K. Cheung, Organometallics 15 (1996) 1740.
15. Re: (a) Y. Zhou, J.W. Seyler, W. Weng, A.M. Arif, J.A. Gladysz, J. Am. Chem. Soc. 115 (1993) 8509; (b) J.W. Seyler, W. Weng, Y. Zhou, J.A. Gladysz, Organometallics, 12 (1993) 3802; (c) M. Brady, W. Weng, Y. Zhou, J.W. Seyler, A.J. Amoroso, A.M. Arif, M. Böhme, G. Frenking, J.A. Gladysz, J. Am. Chem. Soc. 119 (1997) 775; (d) W.E. Meyer, A.J. Amoroso, C.R. Horn, M. Jaeger, J.A. Gladysz, Organometallics 20 (2001) 1115; (e) V.W.-W. Yam, V.C.-Y. Lau, K.-K. Cheung, Organometallics 15 (1996) 1740.
16. Fe: (a) M. Akita, M.-C. Chung, A. Sakurai, S. Sugimoto, M. Terada, M. Tanaka, Y. Moro-oka, Organometallics 16 (1997) 4882; (b) M. Akita, M.-C. Chung, M. Terada, M. Miyauti, M. Tanaka, Y. Moro-oka, J. Organomet. Chem. 565 (1998) 49; (c) N. Le Narvor, C. Lapinte, J. Chem. Soc. Chem. Commun. (1993); 357; (d) N. Le Narvor, L. Toupet, C. Lapinte, J. Am. Chem. Soc., 117 (1995) 7129; (e) N. Le Narvor, C. Lapinte, C.R. Acad. Sci. Paris Ser. IIc, 1 (1998) 745; (f) M. Guillemot, L. Toupet, C. Lapinte, Organometallics 17 (1998) 1928.
17. Fe: (a) M. Akita, M.-C. Chung, A. Sakurai, S. Sugimoto, M. Terada, M. Tanaka, Y. Moro-oka, Organometallics 16 (1997) 4882; (b) M. Akita, M.-C. Chung, M. Terada, M. Miyauti, M. Tanaka, Y. Moro-oka, J. Organomet. Chem. 565 (1998) 49; (c) N. Le Narvor, C. Lapinte, J. Chem. Soc. Chem. Commun. (1993); 357; (d) N. Le Narvor, L. Toupet, C. Lapinte, J. Am. Chem. Soc., 117 (1995) 7129; (e) N. Le Narvor, C. Lapinte, C.R. Acad. Sci. Paris Ser. IIc, 1 (1998) 745; (f) M. Guillemot, L. Toupet, C. Lapinte, Organometallics 17 (1998) 1928.
18. Fe: (a) M. Akita, M.-C. Chung, A. Sakurai, S. Sugimoto, M. Terada, M. Tanaka, Y. Moro-oka, Organometallics 16 (1997) 4882; (b) M. Akita, M.-C. Chung, M. Terada, M. Miyauti, M. Tanaka, Y. Moro-oka, J. Organomet. Chem. 565 (1998) 49; (c) N. Le Narvor, C. Lapinte, J. Chem. Soc. Chem. Commun. (1993); 357; (d) N. Le Narvor, L. Toupet, C. Lapinte, J. Am. Chem. Soc., 117 (1995) 7129; (e) N. Le Narvor, C. Lapinte, C.R. Acad. Sci. Paris Ser. IIc, 1 (1998) 745; (f) M. Guillemot, L. Toupet, C. Lapinte, Organometallics 17 (1998) 1928.
19. Fe: (a) M. Akita, M.-C. Chung, A. Sakurai, S. Sugimoto, M. Terada, M. Tanaka, Y. Moro-oka, Organometallics 16 (1997) 4882; (b) M. Akita, M.-C. Chung, M. Terada, M. Miyauti, M. Tanaka, Y. Moro-oka, J. Organomet. Chem. 565 (1998) 49; (c) N. Le Narvor, C. Lapinte, J. Chem. Soc. Chem. Commun. (1993); 357; (d) N. Le Narvor, L. Toupet, C. Lapinte, J. Am. Chem. Soc., 117 (1995) 7129; (e) N. Le Narvor, C. Lapinte, C.R. Acad. Sci. Paris Ser. IIc, 1 (1998) 745; (f) M. Guillemot, L. Toupet, C. Lapinte, Organometallics 17 (1998) 1928.
20. Fe: (a) M. Akita, M.-C. Chung, A. Sakurai, S. Sugimoto, M. Terada, M. Tanaka, Y. Moro-oka, Organometallics 16 (1997) 4882; (b) M. Akita, M.-C. Chung, M. Terada, M. Miyauti, M. Tanaka, Y. Moro-oka, J. Organomet. Chem. 565 (1998) 49; (c) N. Le Narvor, C. Lapinte, J. Chem. Soc. Chem. Commun. (1993); 357; (d) N. Le Narvor, L. Toupet, C. Lapinte, J. Am. Chem. Soc., 117 (1995) 7129; (e) N. Le Narvor, C. Lapinte, C.R. Acad. Sci. Paris Ser. IIc, 1 (1998) 745; (f) M. Guillemot, L. Toupet, C. Lapinte, Organometallics 17 (1998) 1928.
21. Fe: (a) M. Akita, M.-C. Chung, A. Sakurai, S. Sugimoto, M. Terada, M. Tanaka, Y. Moro-oka, Organometallics 16 (1997) 4882; (b) M. Akita, M.-C. Chung, M. Terada, M. Miyauti, M. Tanaka, Y. Moro-oka, J. Organomet. Chem. 565 (1998) 49; (c) N. Le Narvor, C. Lapinte, J. Chem. Soc. Chem. Commun. (1993); 357; (d) N. Le Narvor, L. Toupet, C. Lapinte, J. Am. Chem. Soc., 117 (1995) 7129; (e) N. Le Narvor, C. Lapinte, C.R. Acad. Sci. Paris Ser. IIc, 1 (1998) 745; (f) M. Guillemot, L. Toupet, C. Lapinte, Organometallics 17 (1998) 1928.
22. Ru: (a) M.I. Bruce, L.I. Denisovich, P.J. Low, S.M. Peregudova, N.A. Ustynyuk, Mendeleev Commun. (1996) 200; (b) M.I. Bruce, P.J. Low, K. Costuas, J.-F. Halet, S.P. Best, G.A. Heath, J. Am. Chem. Soc. 122 (2000) 1949; (c) T. Ren, G. Zhou, J.C. Alvarez, Chem. Commun. (2000) 1197.
23. Ru: (a) M.I. Bruce, L.I. Denisovich, P.J. Low, S.M. Peregudova, N.A. Ustynyuk, Mendeleev Commun. (1996) 200; (b) M.I. Bruce, P.J. Low, K. Costuas, J.-F. Halet, S.P. Best, G.A. Heath, J. Am. Chem. Soc. 122 (2000) 1949; (c) T. Ren, G. Zhou, J.C. Alvarez, Chem. Commun. (2000) 1197.
24. Ru: (a) M.I. Bruce, L.I. Denisovich, P.J. Low, S.M. Peregudova, N.A. Ustynyuk, Mendeleev Commun. (1996) 200; (b) M.I. Bruce, P.J. Low, K. Costuas, J.-F. Halet, S.P. Best, G.A. Heath, J. Am. Chem. Soc. 122 (2000) 1949; (c) T. Ren, G. Zhou, J.C. Alvarez, Chem. Commun. (2000) 1197.
25. Rh/Ir: (a) J. Gil-Rubio, M. Laubender, H. Werner, Organometallics 17 (1998) 1202; (b) J. Gil-Rubio, M. Laubender, H. Werner, Organometallics 19 (2000) 1365; (c) H.Werner, R.W. Lass, O. Gevert, J. Wolf, Organometallics 16 (1997) 4077.
26. Rh/Ir: (a) J. Gil-Rubio, M. Laubender, H. Werner, Organometallics 17 (1998) 1202; (b) J. Gil-Rubio, M. Laubender, H. Werner, Organometallics 19 (2000) 1365; (c) H.Werner, R.W. Lass, O. Gevert, J. Wolf, Organometallics 16 (1997) 4077.
27. Rh/Ir: (a) J. Gil-Rubio, M. Laubender, H. Werner, Organometallics 17 (1998) 1202; (b) J. Gil-Rubio, M. Laubender, H. Werner, Organometallics 19 (2000) 1365; (c) H.Werner, R.W. Lass, O. Gevert, J. Wolf, Organometallics 16 (1997) 4077.
28. Pt: (a) Y. Fujikura, N. Hagihara, K. Sonogashira, S. Takahashi, N. Toyoshima, J. Organomet. Chem. 145 (1978) 101; (b) S.M. Al-Qaisi, K.J. Galat, M. Chai, D.G. Ray III, P.L. Rinaldi, C.A. Tessier, W.J. Youngs, J. Am. Chem. Soc. 120 (1998) 12149; (c) M.I. Bruce, K. Costuas, J.-F. Halet, B.C. Hall, P.J. Low, B.K. Nicholson, B.W. Skelton, A.H. White, J. Chem. Soc. Dalton Trans. (2002) 383.
29. Pt: (a) Y. Fujikura, N. Hagihara, K. Sonogashira, S. Takahashi, N. Toyoshima, J. Organomet. Chem. 145 (1978) 101; (b) S.M. Al-Qaisi, K.J. Galat, M. Chai, D.G. Ray III, P.L. Rinaldi, C.A. Tessier, W.J. Youngs, J. Am. Chem. Soc. 120 (1998) 12149; (c) M.I. Bruce, K. Costuas, J.-F. Halet, B.C. Hall, P.J. Low, B.K. Nicholson, B.W. Skelton, A.H. White, J. Chem. Soc. Dalton Trans. (2002) 383.
30. Pt: (a) Y. Fujikura, N. Hagihara, K. Sonogashira, S. Takahashi, N. Toyoshima, J. Organomet. Chem. 145 (1978) 101; (b) S.M. Al-Qaisi, K.J. Galat, M. Chai, D.G. Ray III, P.L. Rinaldi, C.A. Tessier, W.J. Youngs, J. Am. Chem. Soc. 120 (1998) 12149; (c) M.I. Bruce, K. Costuas, J.-F. Halet, B.C. Hall, P.J. Low, B.K. Nicholson, B.W. Skelton, A.H. White, J. Chem. Soc. Dalton Trans. (2002) 383.
31. Weng W., Bartik T., Brady M., Bartik B., Ramsden J.A., Arif A.M., Gladysz J.A. J. Am. Chem. Soc. 117:1995;11922.
32. Bruce M.I., Hall B.C., Skelton B.W., Smith M.E., White A.H. J. Chem. Soc. Dalton Trans. 2002;995.
33. Faville S.J., Henderson W., Mathieson T.J., Nicholson B.K. J. Organomet. Chem. 580:1999;363.
34. M.I. Bruce, B.G. Ellis, B.W. Skelton, A.H. White, J. Chem. Soc. Dalton Trans. (2002) 0000.
35. Tanimoto M., Kuchitsu K., Morino Y. Bull. Chem. Soc. Jpn. 44:1971;386.
36. Dembinski R., Lis T., Szafert S., Mayne C.L., Bartik T., Gladysz J.A. J. Organomet. Chem. 578:1999;229.
37. Mohr W., Stahl J., Hampel F., Gladysz J.A. Inorg. Chem. 40:2001;3262.
38. Sakurai A., Akita M., Moro-oka Y. Organometallics. 18:1999;3241.
39. Hartbaum C., Roth G., Fischer H. Eur. J. Inorg. Chem. 1998;191.
40. Hoskins B.F., Robson R., Sutherland E.E. J. Organomet. Chem. 515:1996;259.
41. E. Gutierrez-Puebla, A. Vegas, S. Garcia-Blanco, Cryst. Struct. Commun. 8 (1979) 861; Acta Crystallogr. B34 (1978) 3382.
42. E. Gutierrez-Puebla, A. Vegas, S. Garcia-Blanco, Cryst. Struct. Commun. 8 (1979) 861; Acta Crystallogr. B34 (1978) 3382.
43. S.R. Hall, D.J. du Boulay, R. Olthof-Hazekamp (eds), The XTAL 3.7 System, University of Western Australia, 2000.
44. Amsterdam Density Functional program (ADF 2000.02); Division of Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands; http://www.scm.com .
45. Baerends E.J., Ellis D.E., Ros P. Chem. Phys. 2:1973;41.
46. Baerends E.J., Ros P. Int. J. Quantum Chem. S12:1978;169.
47. Boerringter P.M., te Velde G., Baerends E.J. J. Int. J. Quantum Chem. 33:1988;87.
48. te Velde G., Baerends E.J. J. Int. J. Quantum Chem. 99:1992;84.
49. Vosko S.H., Wilk L., Nusair M. Can. J. Phys. 58:1980;1200.
50. Becke A.D. J. Chem. Phys. 84:1986;4524.
51. Becke A.D. Phys. Rev. A. 38:1988;3098.
52. Perdew J.P. Phys. Rev. B. 33:1986;8822.
53. van Lenthe E., Baerends E.J., Snijders J.G.J. Chem. Phys. 99:1993;4597.
54. van Lenthe E., Baerends E.J., Snijders J.G.J. Chem. Phys. 101:1994;9783.
55. van Lenthe E., van Leeuwen R., Baerends E.J. Int. J. Quantum Chem. 57:1996;281.
56. van Lenthe E., Ehlers A.E., Baerends E.J. J. Chem. Phys. 110:1999;8943.
57. Hoffmann R. J. Chem. Phys. 39:1963;1397.
58. Mealli C., Proserpio D.M. J. Chem. Educ. 67:1990;399.