6533b834fe1ef96bd129e17f
RESEARCH PRODUCT
Variation of polarizability in the [4n+2] annulene series: from [22]- to [66]-annulene.
Inmaculada García CuestaHenrik KochJosé Sánchez MarínAlfredo Sánchez De MerásThomas Bondo Pedersensubject
Series (mathematics)ChemistryAb initioGeneral Physics and AstronomyAromaticityAnnuleneMolecular physicsMagnetic susceptibilityMeasure (mathematics)Nuclear magnetic resonancePolarizabilityPhysics::Atomic and Molecular ClustersTheoretical chemistryPhysics::Atomic PhysicsPhysics::Chemical PhysicsPhysical and Theoretical Chemistrydescription
Using correlated ab initio methods, the polarizability of large [4n + 2]-annulenes is determined, showing that there exists an almost linear relation between the exaltation of magnetic susceptibility (a measure of aromaticity) and an equivalent enlargement of polarizability.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2008-01-05 | Physical chemistry chemical physics : PCCP |