Experimental and theoretical studies of the d(8)-d(10) interaction betweenPd(II) and Au(I): Bis(chloro[(phenylthiomethyl)diphenylphosphine]gold(I))-dichloropalladium(II) and related systems

Authors
Crespo, O Laguna, A Fernandez, EJ Lopez-de-Luzuriaga, JM Jones, PG Teichert, M Monge, M Pyykko, P Runeberg, N Schutz, M Werner, HJ
Citation
O. Crespo et al., Experimental and theoretical studies of the d(8)-d(10) interaction betweenPd(II) and Au(I): Bis(chloro[(phenylthiomethyl)diphenylphosphine]gold(I))-dichloropalladium(II) and related systems, INORG CHEM, 39(21), 2000, pp. 4786-4792
Citations number
47
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
INORGANIC CHEMISTRY
ISSN journal
00201669 → ACNP
Volume
39
Issue
21
Year of publication
2000
Pages
4786 - 4792
Database
ISI
SICI code
0020-1669(20001016)39:21<4786:EATSOT>2.0.ZU;2-X
Abstract
The reaction between thioether phosphine gold(I) precursors such as [AuCl(P h2PCH2SPh)], 1, or [Au(Ph2PCH2-SPh)(2)]CF3SO3 and PdCl2(NCPh)(2) affords th e new compounds [{AuCl(Ph2PCH2SPh)}(2)PdCl2], 2, and [AuPdCl2(Ph-2-PCH2SPh) (2)]CF3SO3, 3. The crystal structure of complex 2 has the sterically unhind ered Pd(II) and Au(I) at a distance of 314 pm. Quasirelativistic pseudopote ntial calculations on [AuPdCl3(PH2CH2SH)(SH2)] models give short Au-Pd dist ances at the second-order Moller-Plesset (MP2) level and long Au-Pd distanc es at Hartree-Fock (HF) level. A detailed analysis of the Au-Pd interaction shows dominant dispersion, some ionic contributions, and no net charge tra nsfer between the metals.