How does aromaticity rule the thermodynamic stability of hydroporphyrins?

Chemistry - A European Journal

Volumn 17, Issue 11, 2011, Pages 3274-3286

  Otero, Nicolás ^a   Fias, Stijn ^b   Radenković, Slavko ^b   Bultinck, Patrick ^b   Graña, Ana M ^a   Mandado, Marcos ^a  

^a UNIVERSITY OF VIGO   (Spain)

^b GHENT UNIVERSITY   (Belgium)

Author keywords

aromaticity; density functional calculations; hydrogenation; porphyrinoids; thermodynamics

Indexed keywords

AROMATIC STABILIZATION; AROMATICITIES; DELOCALIZATION INDEXES; DENSITY-FUNCTIONAL CALCULATIONS; ELECTRON DENSITIES; ENERGY EFFECTS; PORPHIN; PORPHYRINOIDS; RELATIVE STABILITIES; RESONANCE ENERGIES; RING CURRENT MAPS; STABILITY SEQUENCES; TOPOLOGICAL RESONANCE ENERGY;

AROMATIZATION; HYDROGENATION; ISOMERS; MAGNETIC SUSCEPTIBILITY; RESONANCE; STABILITY CRITERIA; STABILIZATION; THERMODYNAMIC STABILITY; THERMODYNAMICS;

DENSITY FUNCTIONAL THEORY;

PORPHYRIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; HYDROGENATION; QUANTUM THEORY; THERMODYNAMICS;

HYDROGENATION; MODELS, MOLECULAR; PORPHYRINS; QUANTUM THEORY; THERMODYNAMICS;

EID: 79952229404     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201002599     Document Type: Article

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