File Name : schemes1.tif

Caption : scheme s1. flowchart of our protocol.

File Name : figures1.png

Caption : figure s1. predicted (lines) and experimental (points) rates for formation of n-butyraldehyde and iso-butyraldehyde under a range of different experimental conditions for m1. experimental conditions: top left: pco=ph2=50 bar, [propene]=1.19 m; top right: pco=ph2=50 bar, [catalyst]=0.00292 m; bottom left: ph2=25 bar, [catalyst]=0.0073 m, [propene]=1.19 m; bottom right: pco=25 bar, [catalyst]=0.0073 m, [propene]=1.19 m. red, 423 k; blue, 403 k; magenta, 383 k. experimental rates for n-butyraldehyde are shown as circles, and for iso-butyraldehyde as squares. calculated rates for n-butyraldehyde are shown as solid lines, and for iso-butyraldehyde as dashed lines.

File Name : figures2.png

Caption : figure s2. predicted (lines) and experimental (points) rates for formation of n-butyraldehyde and iso-butyraldehyde under a range of different experimental conditions for m3. see fig. s1 for full reaction conditions.

File Name : figures3.png

Caption : figure s3. predicted (lines) and experimental (points) rates for formation of n-butyraldehyde and iso-butyraldehyde under a range of different experimental conditions for mn. see fig. s1 for full reaction conditions.

File Name : figures4.png

Caption : figure s4. calculated degree of rate control (drc) values for formation of n-butyraldehyde for m5 under a range of different experimental conditions. experimental conditions: top left: pco=ph2=50 bar, [propene]=1.19 m; top right: pco=ph2=50 bar, [catalyst]=0.00292 m; bottom left: ph2=25 bar, [catalyst]=0.0073 m, [propene]=1.19 m; bottom right: pco=25 bar, [catalyst]=0.0073 m, [propene]=1.19 m. black, step 3; red, step 6; magenta, step 7; cyan, step 12; blue, step 13; solid lines, 423 k; dashed lines, 403 k; dash double-dotted lines, 383 k.

File Name : figures5.png

Caption : figure s5. calculated degree of rate control (drc) values for formation of iso-butyraldehyde for m5 under a range of different experimental conditions. experimental conditions: top left: pco=ph2=50 bar, [propene]=1.19 m; top right: pco=ph2=50 bar, [catalyst]=0.00292 m; bottom left: ph2=25 bar, [catalyst]=0.0073 m, [propene]=1.19 m; bottom right: pco=25 bar, [catalyst]=0.0073 m, [propene]=1.19 m. black, step 3; red, step 6; magenta, step 7; cyan, step 12; blue, step 13; solid lines, 423 k; dashed lines, 403 k; dash double-dotted lines, 383 k.

File Name : figures6.png

Caption : figure s6. predicted yield of n- and iso-butyraldehyde through alternative bimetallic mechanism under a range of different experimental conditions for m5. experimental conditions: top left: pco=ph2=50 bar, [propene]=1.19 m; top right: pco=ph2=50 bar, [catalyst]=0.00292 m; bottom left: ph2=25 bar, [catalyst]=0.0073 m, [propene]=1.19 m; bottom right: pco=25 bar, [catalyst]=0.0073 m, [propene]=1.19 m. red, 423 k; blue, 403 k; magenta, 383 k; solid lines, n-butyraldehyde; dashed lines, iso-butyraldehyde.