Terminally coordinated Ass and PS ligands

Chemistry - A European Journal

Volumn 12, Issue 33, 2006, Pages 8603-8608

  Balázs, Gábor ^a,b   Green, Jennifer C ^b   Scheer, Manfred ^a  

^a UNIVERSITY OF REGENSBURG   (Germany)

^b UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

As ligands; Density functional calculations; P ligands; Pnicogen monosulfide ligands; Sulfur

Indexed keywords

CHEMICAL BONDS; COMPLEXATION; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; SULFUR;

AS LIGANDS; P LIGANDS; PNICOGEN MONOSULFIDE LIGANDS;

MOLECULAR STRUCTURE;

EID: 33751316532     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200600975     Document Type: Article

References (56)

1. a) O. J. Scherer, Acc. Chem. Res. 1999, 32, 751-762;
2. b) O. J. Scherer, S. Weigel, G. Wolmershauser, Heteroat. Chem. 1999, 10, 622-626;
3. c) O. J. Scherer, C. Vondung, G. Wolmershauser, Angew. Chem. 1997, 109, 1360-1362;
4. Angew. Chem. Int. Ed. Engl. 1997, 36, 1303-1305;
5. d)J. E. Davies, M.J. Mays, E.J. Pook, P. R. Raithby, P. K. Tompkin, Chem. Commun. 1997, 1997-1998;
6. e) I.-P. Lorenz, W. Pohl, K. Polborn, Chem. Ber. 1996, 129, 11-13.
7. a) H. Brunner, L. Poll, J. Wachter, B. Nuber, J. Organomet. Chem. 1994, 477, 117-122;
8. b) H. Brunner, H. Kauermann, U. Klement, J. Wachter, T. Zahn, M. L. Ziegler, Angew. Chem. 1985, 97, 122;
9. Angew. Chem. Int. Ed. Engl. 1985, 24, 132-133;
10. c) A. J. DiMaio, A. L. Rheingold, Inorg. Chem. 1990, 29, 798-804.
11. C. E. Laplaza, W. M. Davis, C. C. Cummins, Angew. Chem. 1995, 107, 2181-2183;
12. Angew. Chem. Int. Ed. Engl. 1995, 34, 2042-2043.
13. C. C. Cummins, Chem. Commun. 1998, 1777-1786.
14. R. R. Schrock, N. C. Zanetti, W. N. Davis, Angew. Chem. 1995, 107, 2184-2186;
15. Angew. Chem. Int. Ed. Engl. 1995, 34, 2044-2046.
16. M. Scheer, J. Müller, M. Häser, Angew. Chem. 1996, 108, 2637-2641;
17. Angew. Chem. Int. Ed. Engl. 1996, 35, 2492-2494.
18. G. Balárs, M. Sierka, M. Scheer, Angew. Chem. 2005, 117, 4999-5003;
19. Angew. Chem. Int. Ed. 2005, 44, 4920-4924.
20. M. J. A. Johnson, A. M. Odom, C. C. Cummins, Chem. Commun. 1997, 1523-1524.
21. S. V. L. Narayana, H. N. Shrivastava, Acta Crystallogr. Sect. A 1981, B37, 1186-1189.
22. P. M. Boorman, P. W. Codding, K. A. Kerr, J. Chem. Soc. Dalton Trans. 1972, 1482-1485.
23. E. J. Porter, G. M. Sheldrick, J. Chem. Soc. Dalton Trans. 1972, 1347-1349.
24. G. Sakane, T. Shibahara, H. Hou, Y. Liu, X. Xin, Trans. Metal Chem. 1996, 21, 398-400.
25. M. Scheer, P. Kramkowski, K. Schuster, Organometallics 1999, 18, 2874-2883.
26. P. Kramkowski, G. Baum, U. Radius, M. Kaupp, M. Scheer, Chem. Eur. J. 1999, 5, 2890-2898.
27. T. Wagener, G. Frenking. Inorg. Chem. 1998, 37, 1805-1811; erratum: T. Wagener, G. Frenking, Inorg. Chem. 1998, 37, 6402.
28. K. K. Pandey, G. Frenking, Eur. J. Inorg. Chem. 2004, 4388-4395.
29. A. Bérces, O. Koentjoro, B. T. Sterenberg, J. H. Yamamoto, J. Tse, A. J. Carty, Organometallics 2000, 19, 4336-4343.
30. a) F. L. Hirshfeld, Theor. Chim. Acc. 1977, 44, 129-138;
31. b) K. B. Wiberg, P. R. Rablen, J. Comput. Chem. 1993, 14, 1504-1518.
32. a) G. te Velde, F. M. Bickelhaupt, E. J. Baerends, C. Fonseca Guerra, S. J. A. Van Gisbergen, J. G. Snijders, T. Ziegler, J. Comput. Chem. 2001, 22, 931-967;
33. b) C. Fonseca Guerra, J. G. Snijder, G. te Velde, E. J. Baerends, Theor. Chim. Acta 1998, 99, 391-403;
34. c) in ADF2004.01 and ADF2005.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com.
35. a) E. van Lenthe, R. van Leeuwen, E. J. Baerends, J. G. Snijders, Int. J. Quantum Chem. 1996, 57, 281-293;
36. b) E. van Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys. 1996, 105, 6505-6516;
37. c) E. van Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys. 1994, 101, 9783-9792;
38. d) E. van Lenthe, E. J. Baerends. J. G. Snijders, J. Chem. Phys. 1993, 99, 4597-4610.
39. S. H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 1980, 58, 1200-1211.
40. a) A. D. Becke, J. Chem. Phys. 1988, 88, 1053-1062;
41. b) A. D. Becke, Phys. Rev. A 1988, 38, 3098-3100.
42. J. P. Perdew, Phys. Rev. B 1986, 33, 8822-8824; erratum: J. P. Perdew, Phys. Rev. B 1986, 34, 7406.
43. Gaussian03 (Revision C0.2): M. Frisch et al., see Supporting Information.
44. a) R. Ditchfield, W. J. Hehre, J. A. Pople, J. Chem. Phys. 1971, 54, 724-728;
45. b) W. J. Hehre, R. Ditchfield, J. A. Pople, J. Chem. Phys. 1972, 56, 2257-2261;
46. c) P. C. Hariharan, J. A. Pople, Mol. Phys. 1974, 27, 209;
47. d) P. C. Hariharan, J. A. Pople, Theo. Chim. Acta 1973, 28, 213-222;
48. e) J.-P. Blaudeau, M. P. McGrath, L. A. Curtiss, L. Radom, J. Chem. Phys. 1997, 107, 5016-5021;
49. f) M. M. Francl, W. J. Pietro, W. J. Hehre, J. S. Binkley, D. J. DeFrees, J. A. Pople, M.S. Gordon, J. Chem. Phys. 1982, 77, 3654-3665;
50. g) R. C. Binning Jr., L. A. Curtiss, J. Comput. Chem. 1990, 11, 1206;
51. h) V. A. Rassolov, J. A. Pople, M. A. Ratner, T. L. Windus, J. Chem. Phys. 1998, 109, 1223-1229;
52. i) V. A. Rassolov, M. A. Ratner, J. A. Pople, P. C. Redfern, L. A. Curtiss, J. Comput. Chem. 2001, 22, 976-984.
53. a) A. Bergner, M. Dolg, W. Kuechle, H. Stoll, H. Preuss, Mol. Phys. 1993, 80, 1431-1441;
54. b) M. Dolg, U. Wedig, H. Stoll, H. Preuss, J. Chem. Phys. 1987, 86, 866-872.
55. a) G. M. Sheldrick, SHELXS-97, Universität Göttingen, 1996;
56. b) G. M. Sheldrick, SHELXL-97, Universität Göttingen, 1997.