Skip to main content
. 2014 Jan 22;4(3):763–773. doi: 10.1021/cs401023j

Table 2. Selected Bond Lengths (Å) for the Intermediates and Transition States of Pathways I and II.

  Rh–Cγ Rh–Cδ Cγ–Cδ Rh–Ha Rh–B Rh–P1 Rh–P2 Rh–Ob Cδ–H Cγ–B
Im0 2.293 2.293 1.384     2.325 2.217      
TS1 2.448 2.410 1.370 1.831 2.368 2.256 2.239 2.521    
Im1 2.375 2.371 1.381 1.576 2.049 2.274 2.413 2.347    
TS2 2.239 2.329 1.415 1.612 2.050 2.313 2.350 2.342 1.687  
Im2 2.103 2.425 1.506 1.944 2.050 2.340 2.220 2.329 1.166  
TS3 2.107 2.790 1.540 2.514 2.043 2.482 2.182 2.323 1.101  
Im3 2.146 3.062 1.537 3.092 2.050 2.513 2.204 2.342 1.089  
TS4 2.490 3.350 1.548 3.387 2.188 2.259 2.230 2.588 1.089 1.787
Im4 3.537   1.558   4.957 2.194 2.208 2.174 1.089 1.576
TS5 2.105 2.916 1.550 2.709 2.039 2.465 2.184 2.298 1.096  
Im5 2.104 3.127 1.549 3.057 2.026 2.456 2.220 2.180 1.091  
TS6 2.293 3.483 1.573 3.529 2.118 2.283 2.216 2.176 1.089 1.957
Im6     1.568     2.194 2.211 2.134   1.580
TS7 2.283 2.555 1.545 2.059 2.311 2.238 2.194 2.759 1.128 1.719
Im7       2.011   2.208 2.197 2.148 1.123 1.580
TS8 2.385 2.337 1.379 1.704 2.437 2.269 2.357 2.355    
Im8 2.325 2.360 1.385 1.535 2.113 2.275 2.482 2.279    
TS9 2.121 2.288 1.461 1.533 2.298 2.364 2.307 2.275   1.899d
Im9 2.123 3.003 1.550 1.541 3.022 2.496 2.199 2.265   1.561d
TS10 2.228 3.105 1.553 1.569 3.087 2.380 2.188 2.487 1.580c 1.570d
Im10 2.801   1.560 1.965   2.195 2.206 2.156 1.124c  
a

Rh–H denotes the distance of Rh to the H originally bonded to B in pinBH.

b

O indicates the oxygen atom of the carbonyl moiety.

c

The value in italics is the distance of Cγ–H;

d

The value in italics is the distance of Cδ–B;