Synthesis, characterization, and reactivity of cationic hydride [HPd(diphosphine)2]+CF3SO3-, 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

被引:16
作者
Aresta, M
Dibenedetto, A
Amodio, E
Pápai, I
Schubert, G
机构
[1] Univ Bari, Dept Chem, I-70126 Bari, Italy
[2] Univ Bari, METEA Res Ctr, I-70126 Bari, Italy
[3] Hungarian Acad Sci, Chem Res Ctr, H-1525 Budapest, Hungary
关键词
D O I
10.1021/ic020631p
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The synthesis, characterization, and properties of the cationic hydride [HPd(dppe)(2)]-CF3SO3-.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.
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页码:6550 / 6552
页数:3
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