Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 3, Issue 22, Pages 3281-3285Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jz301389r
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Funding
- NIH [ICMIC 5P50 CA128323-03, 5R00 CA134749-03, R25 CA136440, 3R00CA134749-02S1]
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Reported here is a water-soluble Rh(I)-based catalyst for performing parahydrogen-induced polarization (PHIP). The [Rh(I)(norbomadiene)(THP)(2)](+)[BF4](-) catalyst utilizes the monodentate phosphine ligand tris(hydroxymethyl)phosphine (THP). The monodentate PHIP catalyst is less susceptible to oxygenation by air and the THP ligand is significantly less expensive than bidentate water-soluble PHIP ligands. In situ PHIP detection with this monodentate Rh(I)-based catalyst in water yielded 12% C-13 polarization for the parahydrogen addition product, 2-hydroxyethyl 1-C-13-propionate-d(2,3,3) (HEP), with a C-13 T-1 relaxation of 108 s at 0.0475 T. PHIP polarization yields were high, reflecting efficient hydrogenation even under conditions of high content of the oxidized phosphine form of the THP ligand.
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