METHYL CATION CH3

1
METHYL CATION CH3
density / elpot
density / lumo
2
ETHYL CARBOCATION CH3CH2
top views
side views
density / elpot
density / lumo
3
1-PROPYL COMPARED TO 2-PROPYL CATION
colorings adjusted to the same scale
density / elpot
density / lumo
1-propyl cation
CH3-CH2
4
t-BUTYL CARBOCATION (CH3)3C
density / elpot
density / lumo
5
PRIMARY, SECONDARY AND TERTIARY CARBOCATIONS
( adjusted to a common coloring scale )
density / lumo
density / elpot



CH3-C-CH3
CH3-CH2
CH3-CH-CH3
CH3
6
EFFECT OF INCREASING SUBSTITUTION ON CARBOCATIONS
( colorations adjusted to the same scale )
density / lumo
density / elpot
CH3
H


CH3-CH2
CH3-C-CH3
CH3-C-CH3
CH3


7
BENZYL CATION C6H5-CH2
density / elpot
density / lumo
8
BENZENIUM ION
density / elpot
density / lumo
9
1-Phenylethyl Carbocation
( Ph-CH-CH3 )


density / lumo
density / elpot
10
HO HO !!!
LUMO-MAN
11
HEATS OF FORMATION OF CARBOCATIONS
( calculated by PCSpartan using the AM1
semiempirical method )
CARBOCATION HEAT OF FORMATION (AM1)

CH3-CH2 216.789 kcal / mole

CH3-CH-CH3 191.862 kcal / mole

CH3-C-CH3 174.786 kcal / mole
CH3
12
METHYL ANION CH3-
density / elpot
density / lumo