Supporting Information
Copyright Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, 2013
Interplay Between Bromine and Iodine in Oxidative
Dehydrogenation
Kunlun Ding, Horia Metiu, and Galen D. Stucky*[a]
cctc_201200913_sm_miscellaneous_information.pdf
B
A
Fig. S1 (A) Thermodynamics and (B) energy profiles of the reaction between C3H8 and halogens.
These energy profiles were calculated based on the enthalpy data at 600K.
S-1
A
B
C
D
Fig. S2 Product distributions of the “C3H8 + Br2” reaction without I2 at 523K (A); 573K (B);
673K (C); and 723K (D). For all the reactions, τ = 8 seconds, C3H8:Br2:Ar mole ratio = 7:7:47,
C3H8 input = 7.9 mmol. (All the pie charts are on a mole carbon basis)
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A
B
C
Fig. S3 Product distributions of the “C3H8 + Br2” reaction with I2/Br2 mole ratio of 1/9 at 573K
(A); 673K (B); and 723K (C). τ = 8 seconds, C3H8:Br2:Ar mole ratio = 7:7:47, C3H8 input = 7.9
mmol. (All the pie charts are on a mole carbon basis)
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A
B
C
D
Fig. S4 Product distributions of the “C3H8 + Br2” reaction with I2/Br2 mole ratio of 2/8 at 573K
(A); 673K (B); 723K (C); and 773K (D). τ = 8 seconds, C3H8:Br2:Ar mole ratio = 7:7:47, C3H8
input = 7.9 mmol. (All the pie charts are on a mole carbon basis)
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Fig. S5 Residence time dependent C3H8 conversions and “C3H6 + C3H7X” selectivities of the
“C3H8 + Br2” reaction with I2/Br2 mole ratio of 1/9. T = 773K, C3H8:Br2:Ar mole ratio = 7:7:47,
C3H8 input = 7.9 mmol.
Fig. S6 Conversions of the “C3H8 + 2,2-C3H6Br2” reaction over different heterogeneous catalysts.
T = 673 K, τ = 8s for “blank”, τ = 2s for the other catalysts, C3H8:2,2-C3H6Br2:HBr:Ar mole ratio
= 7:7:14:33; C3H8 input = 7.9 mmol.
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A
B
C
D
E
F
Fig. S7 Inlet composition (A); product distributions of the gaseous “C3H8 + 2,2-C3H6Br2”
reaction at 623K (B); 673K (C); 723K (D); 773K (E); and product distribution of the “C3H8 +
2,2-C3H6Br2” reaction over SiO2 at 673K (F). τ = 8 seconds for B – E, τ = 2 seconds for F,
C3H8:2,2-C3H6Br2:HBr:Ar mole ratio = 7:7:14:33, C3H8 input = 7.9 mmol. All the pie charts are
on a mole carbon basis.
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A
B
C
D
E
F
Fig. S8 (A) Conversions, (B) inlet composition, and (C - F) product distributions of the gaseous
“C3H8 + 2,2-C3H6Br2” reaction at different temperatures with I2/2,2-C3H6Br2 ratio of 3/97. (C)
673K; (D) 723K; (E) 773K; and (F) 798K. τ = 8 seconds, C3H8:2,2-C3H6Br2:HBr:Ar mole ratio =
7:7:14:33, C3H8 input = 7.9 mmol. All the pie charts are on a mole carbon basis.
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Fig. S9 Configuration of the reaction system.
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