Synthesis, characterization, and reactivity of cationic hydride [HPd(diphosphine)(2)](+)CF(3)SO(3)(-), the missing member of the family [HM(dppe)(2)](+)X(-) (M = Ni, Pd, Pt). DFT QM/MM structural predictions for the [HPd(dppe)(2)](+) moiety

Michele Aresta; Angela Dibenedetto; Eliana Amodio; Imre Pápai; Gábor Schubert

doi:10.1021/ic020631p

Synthesis, characterization, and reactivity of cationic hydride [HPd(diphosphine)(2)](+)CF(3)SO(3)(-), the missing member of the family [HM(dppe)(2)](+)X(-) (M = Ni, Pd, Pt). DFT QM/MM structural predictions for the [HPd(dppe)(2)](+) moiety

Inorg Chem. 2002 Dec 16;41(25):6550-2. doi: 10.1021/ic020631p.

Authors

Michele Aresta¹, Angela Dibenedetto, Eliana Amodio, Imre Pápai, Gábor Schubert

Affiliation

¹ Department of Chemistry and METEA Research Center, University of Bari, Italy. aresta@metea.uniba.it

PMID: 12470049
DOI: 10.1021/ic020631p

Abstract

The synthesis, characterization, and properties of the cationic hydride [HPd(dppe)(2)](+)CF(3)SO3(-).1/8THF, the missing member of the family [HM(dppe)(2)](+)X(-) (M = Ni, Pd, Pt), are described. The Pd hydride is not stable in solution and may react as either a proton or a hydride donor. DFT QM/MM calculations of the [HPd(dppe)(2)](+) moiety have allowed us to predict its structure and reactivity.