Preferred Label : delocalization;
Detailed label : delocalization in theoretical organic chemistry;
IUPAC definition : Redistribution of the valence-shell electron density throughout a molecular entity
as compared with some localized models (individual atoms in their valence states,
separated bonds or fragments). Different topological modes of the electron delocalization
include: ol class section li i ribbon delocalization /i of either π- or σ-electrons
( i i.e /i ., electrons occupying respectively π- and σ-orbitals) /li li i surface
delocalization /i of σ-electrons occurring through an overlap of radially oriented
σ-orbitals of a cyclic molecule, as is the case of cyclopropane; and /li li i
volume delocalization /i of σ-electrons through an overlap of σ-orbitals directed
inside a molecular polyhedron, as is the case in tetrahedrane. /li /ol ;
Origin ID : DT07019;
Automatic exact mappings (from CISMeF team)
- See also
Redistribution of the valence-shell electron density throughout a molecular entity
as compared with some localized models (individual atoms in their valence states,
separated bonds or fragments). Different topological modes of the electron delocalization
include: ol class section li i ribbon delocalization /i of either π- or σ-electrons
( i i.e /i ., electrons occupying respectively π- and σ-orbitals) /li li i surface
delocalization /i of σ-electrons occurring through an overlap of radially oriented
σ-orbitals of a cyclic molecule, as is the case of cyclopropane; and /li li i
volume delocalization /i of σ-electrons through an overlap of σ-orbitals directed
inside a molecular polyhedron, as is the case in tetrahedrane. /li /ol
