Aromaticity in three dimensions. 4. Influence of orbital compatibility on the geometry and stability of capped annulene rings with six interstitial electrons
ED Jemmis, PR Schleyer - Journal of the American Chemical …, 1982 - ACS Publications
ED Jemmis, PR Schleyer
Journal of the American Chemical Society, 1982•ACS PublicationsA 4zi+ 2 interstitial electron rule extends the concept of aromaticity to three-dimensional,
delocalized systems. Thus, pyramidal molecules are divided conceptually into caps and
rings. The x electrons of the ring and the electrons available from the cap for ring-cap
binding constitute the interstitial electrons; eg, 5-05 5 ß (C5u) has six interstitial electrons—
five from the C5H5 ring and one from BeH. Since the interactionof the lowest a and e orbitals
of an annulene ring with the
delocalized systems. Thus, pyramidal molecules are divided conceptually into caps and
rings. The x electrons of the ring and the electrons available from the cap for ring-cap
binding constitute the interstitial electrons; eg, 5-05 5 ß (C5u) has six interstitial electrons—
five from the C5H5 ring and one from BeH. Since the interactionof the lowest a and e orbitals
of an annulene ring with the
Abstract
A 4zi+ 2 interstitial electron rule extends the concept of aromaticity to three-dimensional, delocalized systems.
Thus, pyramidal molecules are divided conceptually into caps and rings. The x electrons of the ring and the electrons available from the cap for ring-cap binding constitute the interstitial electrons; eg, 5-05 5 ß (C5u) has six interstitial electrons—five from the C5H5 ring and one from BeH. Since the interactionof the lowest a and e orbitals of an annulene ring with the
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