WEO3: Lowest π type Molecular orbitals

WEO3: π type Molecular orbitals^a for [N]Annulenes illustrating presence (L_k=3) or absence (L_k 2,4,6) of a phase shift.

[N]annulene, N=	L_k	Repository entry
	2^b	Retrieve
	2^b	Retrieve
	3	Retrieve
	4^c	Retrieve
^d	4^c	Retrieve Retrieve
^d	6^e	Retrieve Retrieve

^aB3LYP/6-31G(d) wavefunctions, contoured at 0.015 a.u. ^bClassified as a 2.2.1 knot. ^cClassified as a 4.2.1 knot. ^dSignificant mixing with the C-H σ-framework is visible. ^eClassified as a 6.2.1 knot.

WEO3: π type Molecular orbitalsa for [N]Annulenes illustrating presence (Lk=3) or absence (Lk 2,4,6) of a phase shift.

WEO3: π type Molecular orbitals^a for [N]Annulenes illustrating presence (L_k=3) or absence (L_k 2,4,6) of a phase shift.