Page 979 - Advanced Organic Chemistry Part A - Structure and Mechanisms, 5th ed (2007) - Carey _ Sundberg

963

PROBLEMS
–0.47 +0.01
–0.46 –0.36
–0.12
–0.32 –0.36
–0.32 –0.18 +0.05

+0.76 –0.58 +0.55
–0.77
–0.74
–0.63

1.14
1.12 1.89
1.61
1.04
1.08 1.45
1.56 1.38
1.61
0.63
0.31 0.29
1.75
1.51

Fig. 10.P21b. NPA charges and bond orders for TS I and II. Reproduced by Permission of
the American Chemical Society.

a.u. CP Ketene
0.4
LUMO+1
0.2
LUMO
0.0

–0.2
HOMO
–0.4

–0.6
Fig. 21Pc. Relative energy (in au) of
cyclopentadiene HOMO and LUMO and
∗
ketene ∗ , and orbitals. Reproduced
C=O
by permission of the American Chemical
Society.