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. Author manuscript; available in PMC: 2011 Nov 28.
Published in final edited form as: Chem Asian J. 2011 Mar 8;6(7):1860–1875. doi: 10.1002/asia.201000875

Table 4.

Ligand Screening for ASR of Propylene

graphic file with name nihms-308263-t0027.jpg

Ligand Cone angle[a] νCO[b] Yield (%)[c] Selectivity
(5a:6:7)[d]
PMe3 118 2064.1 0 -
PMe2Ph 122 2065.3 0 -
P(OEt)Ph2 133 2071.6 trace -
PPh3 145 2068.9 0 -
P(p-anisyl)3 145 2066.1 37 77:7:16
PCy(p-F-C6H4)2 (153)[e] (2066.2)[f] 64 91:1:8
PCyPh2 153 (2064.8)[f] 65 94:1:5
PCy2(p-F-C6H4) (162)[e] (2061.3)[f] 86 98:1:1
PCy2Ph 162 (2060.6)[f] 78 98:1:1
PCy2(p-anisyl) (162)[e] (2059.7)[f] 87 98:1:1
PCy3 170 2056.4 19 >98:1:1
P(o-tolyl)3 194 2066.6 0 -
P(o-anisyl)3 (>194)[e] 2058.3 84[g] 52:20:28
[a]

Ref. 23.

[b]

The stretching frequencies (νCO) of the terminal CO of Ni(CO)3L in CH2Cl2. Ref. 23.

[c]

Yields were determined by 1H NMR analysis using 1,4-dioxane as an internal standard.

[d]

Determined by 1H NMR spectroscopy.

[e]

Estimated values.

[f]

Calculated values using Tolman’s equation. Ref. 23.

[g]

Isolated yield.