B44
Reaction:
DCOO-
+ Mu ®
MuD + CO2-
Type
of reaction: H-atom abstraction
a)
Lossack, A.M., Roduner, E. and Bartels, D.M.
Phys. Chem. Chem.Phys., 2001,
3, 2031.
kM
= (3.4 ±
0.3) x 105 dm3mol-1s-1
pH = 7
log(A/dm3mol-1s-1)
= 12.16 ±
0.06 Ea = (37.8 ±
0.9) kJ mol-1 for T ~
276 K to 367 K
KIEM/H
= kM / kH = 3.4 x 105 / 3.5 x 107
~ 0.01
KIEM/D
= kM / kD = 3.4 x 105 / 5.2 x 107
~ 0.007
KIEH/D
= kH / kD = 3.5 x 107 / 5.2 x 107
~ 0.7
k(H
+ DCOO-)
= (3.5 ±
0.3) x 107 dm3mol-1s-1
pD = 7.0
logA(dm3mol-1s-1)
= 12.12 ±
0.17 Ea = (26.1 ±
0.9) kJ mol-1 for T ~
276 K to 367 K
k(D
+ DCOO-)
= (5.2 ±
0.5) x 107 dm3mol-1s-1
pD = 7.0
logA(dm3mol-1s-1)
= 11.66 ±
0.20 Ea = (22.5 ±
1.0) kJ mol-1
all
data for H and D from Lossack, A.M. et al., quoted as a)
b)
Ng, B.W. Ph.D. Thesis, University of British Columbia, 1983.
kM
= 1.1 x 106 m3mol-1s-1
pH = 7
Ea
= (39 ±
3) kJ mol-1
KIE = kM
/ kH = 1.1 x 106 / 3.5 x 107 = 0.03
kH
from Lossack, A.M. et al., quoted as a)