Theoretical, structural and NMR studies of fluxionality in thiolato-bridged platinum (II)-platinum (IV) dinuclear complexes

Inorganica Chimica Acta

Volumn 265, Issue 1-2 PART II, 1997, Pages 89-102

  Duran, Núria ^a   González Duarte, Pilar ^a   Lledós, Agustí ^a   Parella, Teodor ^a   Sola, Joan ^a   Ujaque, Gregori ^a   Clegg, William ^b   Fraser, Kelly A ^b  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b NEWCASTLE UNIVERSITY   (United Kingdom)

Author keywords

Ab initio calculations; Crystal structures; Fluxionality; Platinum complexes; Sulfur bridged complexes

Indexed keywords

CALCULATIONS; CRYSTAL STRUCTURE; ISOMERS;

AB INITIO CALCULATIONS; DINUCLEAR COMPLEX; ENANTIOMERIC PAIRS; FLUXIONALITY; PLATINUM COMPLEXES; RELATIVE ENERGIES; SULFUR-BRIDGED COMPLEX; VARIABLE TEMPERATURE;

PLATINUM COMPOUNDS;

EID: 0001990613     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0020-1693(97)05674-0     Document Type: Article

References (31)

1. I.G. Dance, Polyhedron, 5 (1986) 1037.
2. P.J. Blower and J.R. Dilworth, Coord. Chem. Rev., 76 (1987) 121.
3. O.W. Stephan and T.T. Nadasdi, Coord. Chem. Rev., 147 (1996) 147.
4. E.W. Abel, S.K. Bhargava and K.G. Orrell, Prog. Inorg. Chem., 32 (1984) 1.
5. G. Natile, L. Maresca and G. Bor, Inorg. Chim. Acta., 23 (1977) 37.
6. S.D. Killops and S.A.R. Knox, J. Chem. Soc., Dalton Trans., (1978) 1260.
7. M. Capdevila, P. González-Duarte, C. Foces-Foces, F. Hernández-Cano and M. Martínez-Ripoll, J. Chem. Soc., Dalton Trans., (1990) 143.
8. M. Capdevila, W. Clegg, P. González-Duarte, B. Harris, I. Mira, J. Sola and I.C. Taylor, J. Chem. Soc., Dalton Trans., (1992) 2817.
9. M. Capdevila, W. Clegg, P. González-Duarte and I. Mira, J. Chem. Soc., Dalton Trans., (1992) 173.
10. M. Capdevila, W. Clegg, P. González-Duarte, A. Jarid and A. Lledós, Inorg. Chem., 35 (1996) 490
11. M.W. Abel, N.A. Cooley, K. Kite, K.G. Orrell, V. Šik, M.B. Hursthouse and H.M. Dawes, Polyhedron, 6 (1987) 1261.
12. R.H. Heyn and D.W. Stephan, Inorg. Chem., 34 (1995) 2804.
13. R.E. Hurd, J. Magn. Reson., 87 (1990) 422.
14. T. Parella, F. Sánchez-Ferrando and A. Virgili, J. Magn. Reson., (1997) submitted for publication.
15. R.E. Hurd and B.K. John, J. Magn. Reson., 91 (1991) 648.
16. G.M. Sheldrick, SHELXTL Manual, Siemens Analytical X-ray Instruments Inc., Madison, WI, 1994.
17. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andrés, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, Gaussian 94, Gaussian Inc., Pittsburgh, PA, 1995.
18. R.G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules, Oxford University Press, Oxford, UK, 1989.
19. C. Lee, W. Yang and R.G. Parr, Phys. Rev. B, 37 (1988) 785.
20. A.D. Becke, J. Chem. Phys., 98 (1993) 5648.
21. P.J. Hay and W.R. Wadt, J. Chem. Phys., 82 (1985) 299.
22. W.R. Wadt and P.J. Hay, J. Chem. Phys., 82 (1985) 284.
23. A. Höllwarth, M. Böhme, S. Dapprich, A.W. Ehlers, A. Gobbi, V. Jonas, K.F. Köhler, R. Stegmann, A. Veldkamp and G. Frenking., Chem. Phys. Lett., 208 (1993) 237.
24. W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys., 56 (1972) 2257.
25. W.J. Hehre, R.E. Stewart and J.A. Pople, J. Chem. Phys., 51 (1969) 2657.
26. C. Peng, P.Y. Ayala, H.B. Schlegel and M.J Frisch, J. Comput. Chem., 17 (1996) 49.
27. J.E. Huheey, E.A. Keiler and R.L. Keiter, Inorganic Chemistry, Harper, New York, 4th edn., 1993.
28. K.S. Hagen, D.W. Stephan and R.H. Holm, Inorg. Chem., 21 (1982) 3928.
29. G. Aullón, G. Ujaque, A. Liedós, S. Alvarez and P. Alemany, submitted for publication.
30. T.A. Albright, J.K. Burdett and M.H. Whangbo, Orbital Interactions in Chemistry, Wiley, New York, 1985, pp. 140-148.
31. D.A. Dixon and D.S. Marynick, J. Chem. Phys., 71 (1979) 2860.