Entry

Compound

MO

Energy level (eV)

Species

1

benzylamine

HOMO

−8.31

Nucleophile

2

n-propylamine

HOMO

−8.44

Nucleophile

3

n-butylamine

HOMO

−8.43

Nucleophile

4

i-butylamine

HOMO

−8.45

Nucleophile

5

p-chlorobenzaldehyde

LUMO

−0.10

Electrophile

6

p-bromobenzaldehyde

LUMO

−0.13

Electrophile

7

p-tolualdehyde

LUMO

0.31

Electrophile

8

p-anisaldehyde

LUMO

0.49

Electrophile