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H-atom site exchange in an iridium trans-dihydrogen/hydride complex, trans-[Ir(H)(?2-H2)(iPr)4(POCOP)(DMAP)]+
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作者:

Agrawal, Nisha K.
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Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, India Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, India

Gayathridevi, S.
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CSIR, Phys & Mat Chem Div, Natl Chem Lab, Pune 411008, India
Acad Sci & Innovat Res AcSIR, Ghaziabad 201 002, India Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, India

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Jagirdar, Balaji R.
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Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, India Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, India
机构:
[1] Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, India
[2] CSIR, Phys & Mat Chem Div, Natl Chem Lab, Pune 411008, India
[3] Acad Sci & Innovat Res AcSIR, Ghaziabad 201 002, India
关键词:
MOLECULAR-HYDROGEN COMPLEXES;
AB-INITIO;
METAL;
BOND;
NMR;
ACTIVATION;
RU;
COOPERATION;
REACTIVITY;
DIHYDRIDE;
D O I:
10.1039/d3dt02366d
中图分类号:
O61 [无机化学];
学科分类号:
070301 ;
081704 ;
摘要:
Treatment of trans-[Ir(H)(N)(2)((iPr)4)(POCOP)(DMAP)][BAr4f] (2) with H-2 (1 bar) under ambient conditions (298 K) results in the formation of a trans-[Ir(H)(?(2)-H-2)((iPr)4)(POCOP)(DMAP)][BAr4f] (3) complex. Complex 3 exhibits H-atom site exchange between the bound H-2 and the hydride ligands which are mutually trans to one another. A plausible mechanism of this exchange involves metal-ligand cooperativity as studied by computations.
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页码:13858 / 13863
页数:6
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