Kinetics and thermochemistry of the reaction C/sub 2/D/sub 6/ + Cl /r equilibrium/ C/sub 2/D/sub 5/ + DCl. The heat of formation of the C/sub 2/D/sub 5/ and C/sub 2/H/sub 5/ radicals

Journal Article · Wed Jan 04 00:00:00 EST 1989 · J. Am. Chem. Soc.; (United States)

DOI:https://doi.org/10.1021/ja00183a010· OSTI ID:5913694

Parmar, S S; Benson, S W

The bimolecular rate constant for the title reaction has been measured with the very low pressure reactor technique (VLPR) at 295 K. The rate constant at room temperature (295 K) was found to be k/sub 1/ = (8.30 /plus minus/ 0.7) /times/ 10/sup /minus/12/ cm/sup 3//(molecule/center dot/s). The value of K/sub 1/, i.e., equilibrium constant at room temperature, was found to be (4.70 /plus minus/ 0.3) /times/ 10/sup 2/. From third law calculations at 295 K /delta/H/sub f//degree/(C/sub 2/D/sub 5/) = (24.30 /plus minus/ 0.4) kcal/mol and DH/degree/(C/sub 2/D/sub 5/-D) = 102.8 /plus minus/ 0.4 kcal/mol. With use of known zero-point energy differences DH/degree/(C/sub 2/H/sub 5/-H) can be calculated from this as 100.4 kcal/mol and /delta/H/sub f//degree/(C/sub 2/H/sub 5/) = 28.3 kcal/mol in excellent agreement with recent data. 22 references, 4 figures, 3 tables.

• Research Organization: Donald P. and Katherine B. Loker Hydrocarbon Research Institute, Los Angeles, CA (USA)
• OSTI ID: 5913694
• Journal Information: J. Am. Chem. Soc.; (United States), Vol. 111:1
• Country of Publication: United States
• Language: English

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