Synthesis and characterization of quasi-two-coordinate transition metal dithiolates M(SAr*)2 (M = Cr, Mn, Fe, Co, Ni, Zn; Ar* = C6H3-2,6(C6H2-2,4,6-Pri 3)2

Journal of the American Chemical Society

Volumn 127, Issue 23, 2005, Pages 8545-8552

  Nguyen, Tailuan ^a   Panda, Arunashree ^a   Olmstead, Marilyn M ^a   Richards, Anne F ^a   Stender, Mathias ^a   Brynda, Marcin ^a   Power, Philip P ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARACTERIZATION; CRYSTAL STRUCTURE; IRON COMPOUNDS; SPECTROSCOPIC ANALYSIS; SYNTHESIS (CHEMICAL); X RAY CRYSTALLOGRAPHY;

FREE ION MAGNETISM; GEOMETRIC DISTORTION; MAGNETIC MEASUREMENTS; METAL-ARYL RING COORDINATION;

TRANSITION METAL COMPOUNDS;

CHROMIUM DERIVATIVE; COBALT DERIVATIVE; DITHIOLATE; IRON DERIVATIVE; MANGANESE DERIVATIVE; NICKEL; THIOL DERIVATIVE; TRANSITION ELEMENT; UNCLASSIFIED DRUG; ZINC DERIVATIVE;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; NUCLEAR MAGNETIC RESONANCE IMAGING; SPECTROSCOPY; SYNTHESIS; X RAY CRYSTALLOGRAPHY;

EID: 20644468600     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja042958q     Document Type: Article

References (61)

1. Dance, I. G. Polyhedron 1986, 5, 1037.
2. Krebs, B.; Henkel, G. Angew. Chem., Int. Ed. Engl. 1991, 30, 769.
3. Kang, B.-S.; Hong, M.-C.; Wen, T.-B.; Liu, H. Q.; Lu, J.-X. J. Cluster. Sci. 1995, 6, 379.
4. Stephan, D. W.; Nadaschi, T. T. Coord. Chem. Rev. 1996, 147, 147.
5. See, for example, selected articles in Chem. Rev. 2004, 104 (2).
6. Lewkebandara, T. S.; Winter, C. H. Adv. Mater. 1994, 6, 237.
7. Rees, W. S. CVD of Non-Metals; VCH: New York, 1996.
8. Power, P. P. Comments. Inorg. Chem. 1989, 8, 177.
9. Power, P. P. Chemtracts-Inorg. Chem. 1994, 6, 181.
10. Cummins, C. C. Prog. Inorg. Chem. 1998, 47, 685.
11. Dilworth, J. R.; Hu, J. Adv. Inorg. Chem. 1994, 33, 411.
12. Ruhlandt-Senge, K. Comments Inorg. Chem. 1997, 19, 351.
13. Power, P. P.; Shoner, S. C. Angew. Chem., Int. Ed. Engl. 1991, 30, 330.
14. Rundel, R. Chem. Ber. 1968, 101, 2956.
15. Power, P. P.; Ruhlandt-Senge, K. Bull. Chem. Soc. Fr. 1992, 129, 594.
16. Ellison, J. J.; Ruhlandt-Senge, K.; Power, P. P. Angew Chem., Int. Ed. Engl. 1994, 22, 1178.
17. Niemeyer, M.; Power, P. P. Inorg. Chem. 1996, 35, 7264.
18. Niemeyer, M.; Power, P. P. Inorg. Chem. Acta 1997, 263, 201.
19. Niemeyer, M. Eur. J. Inorg. Chem. 2001, 1969.
20. Viefhaus, T.; Schwarz, W.; Hübler, K.; Locke, K.; Weidlein, J. Z. Anorg. Allg. Chem. 2001, 627, 715.
21. LaPointe, A. Inorg. Chim. Acta 2003, 345, 359.
22. Reiff, W. M.; LaPointe, A.; Witten, E. H. J. Am. Chem. Soc. 2004, 126, 10206.
23. Kern, R. J. J. Inorg. Nucl. Chem. 1962, 24, 1105.
24. Horvath, B.; Möseler, R.; Horvath, E. G. Z. Anorg. Allg. Chem. 1979, 450, 165.
25. SADABS: Area-Detection Absorption Corrections: Bruker AXS Inc.: Madison, WT, 1996.
26. Parkin, S.; Moezzi, B.; Hope, H. J. Appl. Crystallogr. 1995, 28, 51.
27. SHELXS and SHELXL PC, version 5.03; Bruker AXS Inc.: Madison, WI, 1994.
28. Bartlett, R. A.; Chen, H.; Power, P. P. Angew. Chem., Int. Ed. Engl. 1989, 28, 316.
29. Chen, H.; Bartlett, R. A.; Olmstead, M. M.; Power, P. P.; Shoner, S. C. J. Am. Chem. Soc. 1990, 112, 1048.
30. Bartlett, R. A.; Power, P. P. J. Am. Chem. Soc. 1987, 109, 7563.
31. Ellison, J. J.; Power, P. P. Inorg. Chem. 1994, 33, 4231.
32. Danopoulos, A. A.; Wilkinson, G.; Sweet, T. K. N.; Hursthouse, M. B. Dalton Trans. 1995, 2111.
33. Ng, V. W. L.; Leong, W. K.; Koh, L. L.; Tan, G. K.; Goh, L. Y. J. Organomet. Chem. 2004, 689, 3210.
34. Costa, T.; Dorfman, J. R.; Hagen, K. S.; Holm, R. H. Inorg. Chem. 1983, 22, 4091.
35. Stephan, H.-O.; Henkel, G. Inorg. Chem. Acta 1994, 2/9, 1.
36. Cammack, R. Adv. Inorg. Chem. 1992, 38, 281.
37. Block, E.; Zubieta, J. Adv. Sulfur. Chem. 1994, 1, 133.
38. Stillman, M. J. Coord. Chem. Rev. 1995, 144, 461.
39. MacDonnell, F. M.; Ruhlandt-Senge, K.; Ellison, J. J.; Holm, R. H.; Power, P. P. Inorg. Chem. 1995, 34, 1815.
40. Dance, I. G.; Calabrese, J. C. Chem. Commun. 1975, 762.
41. For example: Woodward, P.; Dahl, L. F.; Abel, E. W. J. Am. Chem. Soc. 1965, 87, 5251.
42. Gould, R. O.; Harding, M. M. J. Chem. Soc. A 1970, 875.
43. German, C.; Declerq, J. P. Polyhedron 1984, 3, 969.
44. Gaebe, W.; Ros, T.; Solons, X.; Font-Atlaba, M.; Brianso, J. L. Inorg. Chem. 1984, 23, 39.
45. Dance, I. G.; Scudder, M. L.; Secomb, R. Inorg. Chem. 1985, 24, 1201.
46. Feld, H.; Leute, A.; Rading, D.; Benninghoven, A.; Henkel, G.; Krüger, T.; Krebs, B. Z. Nat. 1992, 47, 929.
47. Mahmeredkhani, A. H.; Langer, V. Polyhedron 1999, 18, 3407 and references therein.
48. Power, P. P.; Shoner, S. C. Angew Chem. Int. Ed. 1990, 29, 1403.
49. Bochmann, M.; Bwemba, G.; Grinter, R.; Lu. J.; Webb, K. J.; Williamson, D. J.; Hursthouse, M. B.; Mazid, M. Inorg. Chem. 1993, 32, 532.
50. Wehmschulte, R. J.; Power, P. P. Organometallics 1995, 14, 3264.
51. Müller, H.; Seidel, W.; Görls, M. Angew. Chem., Int. Ed. Engl. 1995, 36, 325.
52. Cole, S. C.; Coles, M. P.; Hitchcock, P. B. Dalton Trans. 2003, 3663.
53. Shannon, R. D. Acta Crystallogr. 1976, A32, 751.
54. Evans, D. J.; Hughes, D. L.; Silver, J. Inorg. Chem. 1997, 36, 747.
55. Andres, H. P.; Bominaar, E. L.; Smith, J. M.; Eckert, N. A.; Holland, P. L.; Münck, E. J. Am. Chem. Soc. 2002, 124, 2002.
56. 2 compounds were performed in the gaseous phase using DFT theory with hybrid B3LYP functional. The molecular structures of two types were considered: The in-plane (IP) structures with the phenyl rings coplanar with the C-S-Me-S-C fragment and (OP) out-of-plane structures where the phenyl rings make 90 degrees with the plane containing C-S-Me-S-C fragment. Both type of structures were optimized with Los Alamos LanL2DZ basis set using an effective core potential (ECP) approximation: a subsequent optimization of the geometry was performed with 6-31 g* basis set using unrestricted calculations for low spin (LS) and high spin (HS) complexes, except for Zn complex, where restricted calculations were performed. Adiabatic LS/HS energy differences were calculated by comparing energies obtained from the LS and HS optimized geometries. All the calculations were performed with the Gaussian 03 package[a], and the representations of the molecular structures and molecular orbitals were generated with the MOLEKEL program[b].
57. (a) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A.; Vreven, T., Jr.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyata, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Ciolowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03. Revision A.1; Gaussian, Inc.: Pittsburgh, PA, 2003.
58. (b) Flukiger, P.; Luthi, H. P.; Portmann, S.; Weber, J. MOLEKEL 4.3: Swiss Center for Scientific Computing: Manno, Switzerland, 2000-2002.
59. Buyuktas, B. S.; Olmstead, M. M.; Power, P. P. Chem. Commun. 1998, 1689.
60. Komuro, T.; Matsuo, T.; Kawaguchi, H.; Tatsumi, K. J. Am. Chem. Soc. 2003, 125, 2070.
61. Fox, D. C.; Fiedler, A. T.; Halfen, H. L.; Brunold, T. C.; Halfen, J. A. J. Am. Chem. Soc. 2004, 126, 7627.