Geometric features and electronic structures of six-coordinated dialkyl and dithiolate complexes of osmium(IV) porphyrins

Organometallics

Volumn 20, Issue 14, 2001, Pages 3198-3201

  Yang, Sheng Yong ^a   Leung, Wa Hung ^a   Lin, Zhenyang ^a  

^a HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

DIALKYL COMPLEXES; DITHIOLATE COMPLEXES; GEOMETRIC FEATURES; OSMIUM PORPHYRINS;

COMPLEXATION; ELECTRONIC STRUCTURE; GEOMETRY; OPTIMIZATION; OSMIUM COMPOUNDS; PROBABILITY DENSITY FUNCTION;

ORGANOMETALLICS;

EID: 0035833308     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om010149z     Document Type: Article

References (44)

1. (a) Jasat, A.; Dolphin, D. Chem. Rev. 1997, 97, 2267.
2. (b) Brothers, P. J.; Collman, J. P. Acc. Chem. Res. 1986, 19, 209.
3. (c) Guilard, R.; Kadish, K. M. Chem. Rev. 1988, 88, 1121.
4. The Porphyrin Handbook; Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic Press: New York, 2000; Vol. 3.
5. (a) Metalloporphyrins in Catalytic Oxidations; Sheldon, R. A., Ed.; Marcel Dekker: New York, 1994.
6. (b) Metalloporphyrin Catalyzed Oxidations; Montanari, F., Casella, L., Eds.; Kluwer: Dordrecht, The Netherlands, 1994.
7. (a) Groves, J. T.; Quinn, R. J. Am. Chem. Soc. 1985, 107, 5790.
8. (b) Groves, J. T.; Bonchio, M.; Carofiglio, T.; Shalyaev, K. J. Am. Chem. Soc. 1996, 118, 8961.
9. (a) Ohtake, H.; Higuchi, T.; Hiroe, H. J. Am. Chem. Soc. 1992, 114, 10660.
10. (b) Mlodnika, T.; James, B. R. In Metalloporphyrin Catalyzed Oxidations; Montanari, F., Casella, L., Eds.; Kluwer: Dordrecht, The Netherlands, 1994; p 121.
11. (c) Cenini, S.; Tollari, S.; Penoni, A.; Cereda, C. J. Mol. Catal. A: Chem. 1999, 137, 135.
12. Che, C. M.; Yu, W. Y. Pure Appl. Chem. 1999, 71, 281 and references therein.
13. Leung, W. H.; Hun, T. S. M.; Wong, K. Y.; Wong, W. T. J. Chem. Soc., Dalton Trans. 1994, 2713.
14. (a) Sishta, C.; Ke, M.; James, B. R.; Dolphin, D. J. Chem. Soc., Chem. Commun. 1986, 787.
15. (b) Collman, J. P.; Rose, E.; Venburg, G. D. J. Chem. Soc., Chem. Commun. 1994, 11.
16. 2 with a bent C-Ru-C unit has been determined: James, B. R. Private communication.
17. Collman, J. P.; Bohle, D. S.; Powell, A. K. Inorg. Chem. 1993, 32, 4004.
18. Che, C. M.; Huang, J. S.; Li, Z. Y.; Poon, C. K.; Tong, W. F.; Lai, T. F.; Cheng, M. C.; Wang, C. C.; Wang, Y. Inorg. Chem. 1992, 31, 5220.
19. (a) Smieja, J. A.; Omberg, K. M.; Busuego, L. N.; Breneman, G. L. Polyhedron 1994, 13, 339.
20. (b) Gross, Z.; Mahammed, A. Inorg. Chem. 1996, 35, 7260.
21. (c) Gross, Z.; Mahammed, A.; Barzilay, C. M. Chem. Commun. 1998, 1105.
22. Cheng, S. Y. S.; Rajapakse, N.; Rettig, S. J.; James, B. R. J. Chem. Soc., Chem. Commun. 1994, 2669.
23. Ke, M.; Sishta, C.; James, B. R.; Dolphin, D.; Sparapany, J. W.; Ibers, J. A. Inorg. Chem. 1991, 30, 4766.
24. Chen, L.; Khan, M. A.; Richter-Addo, G. B. Inorg. Chem. 1998, 37, 533.
25. (a) Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
26. (b) Miehlich, B.; Savin, A.; Stoll, H.; Preuss, H. Chem. Phys. Lett. 1989, 157, 200.
27. (c) Lee, C.; Yang, W.; Parr, G. Phys. Rev. B 1988, 37, 785.
28. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 299.
29. Hariharan, P. C.; Pople, J. A. Theor. Chim. Acta 1973, 28, 213.
30. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A. Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challcombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
31. (a) Nash, C. S.; Bursten, B. E.; J. Phys. Chem. A 1999, 103, 632.
32. (a) Daniel, C.; Guillaumont, D.; Ribbing, C.; Minaev, B. J. Phys. Chem. A 1999, 103, 5766.
33. (c) Autschbach, J.; Ziegler, T. J. Chem. Phys. 2000, 113, 9410.
34. (d) Han, Y.-K.; Bae, C.; Lee, Y. S. J. Chem. Phys. 1999, 110, 9353.
35. (e) Li, J.; Wu K. Inorg. Chem. 2000, 39, 1538.
36. Albright, T. A.; Burdett, J. K.; Whangbo, M.-H. Orbital Interactions in Chemistry; Wiley: New York, 1985.
37. Jahn, H. A.; Teller, E. Phys. Rev. 1936, 49, 874.
38. (a) Kubáček, P.; Hoffmann, R. J. Am. Chem. Soc. 1981, 103, 4320.
39. (b) Kamata, M.; Hirotsu, K.; Higuchi, T.; Tatsumi, K.; Hoffmann, R.; Yoshida, T.; Otsuka, S. J. Am. Chem. Soc. 1981, 103, 5772.
40. Templeton, J. L.; Caldarelli, J. L.; Feng, S.; Philipp, C. C.; Wells, M. B.; Woodworth, B. E.; White, P. S. J. Organomet. Chem. 1994, 478, 103.
41. Schaftenaar, G. Molden v3.5; CAOS/CAMM Center Nijmegen, Toernoovield, Nijmegen, The Netherlands, 1999.
42. (a) Huang, J. S.; Che, C. M.; Li, Z. Y.; Poon, C. K. Inorg. Chem. 1992, 31, 1313.
43. (b) Li, Z. Y.; Huang, J. S.; Chan, M. C. W.; Cheung, K. K.; Che, C. M. Inorg. Chem. 1997, 36, 3064.
44. (c) Huang, J. S.; Sun, X. R.; Leung, S. K. Y.; Cheung, K. K.; Che, C. M. Chem. Eur. J. 2000, 6, 334.