Heilbronner: Hückel Molecular Orbitals of Möbius - Type Conformations
Heilbronner: Hückel Molecular Orbitals of Möbius - Type Conformations
Heilbronner: Hückel Molecular Orbitals of Möbius - Type Conformations
OF AlfliOLEEES
E.Heilbronner
Hochschale, Ztiiah
(Received1 June 1964)
- S coa ti+
%
Irigure 1
1 + 2@' ooa*(2J+l)/n
EJ *=
J I 0, 1, 2, . ... .. , n-l
ifr(2J+l)p/n ) $,,
it
or by the appropriate real linear combination8 of v", and y;.
The energy level scheme for a MUbias type perimeter
differs from that of a standard perimeter in that all levels
are degenerate for n even, and that only the highest anti-
bonding level is single for n odd. This is shovn schematically
In fig. 2.
No.29 Uibius-typeconformations
of annulenes 1925
II eTen I add
- n/2
,- - -- (n+l)/2
-- --
Standard . ... .. .. ... .. ..e ................
Perimeter --2
r-l - - 1
n-l - - 1
-0 -0
- (a+1)/2
n/2 - - n/2 -1 --
--
libium . .. ...... .. .. . .. ................
Perimeter --1 --1
n-l - - 0 n-l- -0
Figure 2
E, = a + 20 coo 2W-J/n
J = 0, 1, 2, . ... . , n-l
Step 1 Step 2
Figure 3
4(Pj - 1 J) = - 8@ [sin‘%/n][sinV(2J+l)/n]