Topology Switching in [32]Heptaphyrins Controlled by Solvent, Protonation, and meso Substituents

Chemistry - A European Journal

Volumn 19, Issue 5, 2013, Pages 1617-1628

  Alonso, Mercedes ^a   Geerlings, Paul ^a   De Proft, Frank ^a  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

Author keywords

aromaticity; conjugation; density functional calculations; expanded porphyrins; macrocycles

Indexed keywords

ANTIAROMATIC CHARACTER; AROMATICITIES; CHLORINE ATOM; CONFORMATIONAL CHANGE; CONFORMATIONAL CONTROL; CONFORMATIONAL EQUILIBRIUM; CONFORMATIONAL SWITCHES; CONJUGATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; EXPANDED PORPHYRINS; HEPTAPHYRINS; HYDROGEN BONDING INTERACTIONS; MACROCYCLES; MAGNETIC SWITCHES; MOLECULAR SWITCHES; NEUTRAL STATE; POLAR SOLVENTS; PROTONATED; REACTIVITY INDICES; RELATIVE ENERGIES; STERIC HINDRANCES;

AROMATIC COMPOUNDS; AROMATIZATION; CHLORINE; CONFORMATIONS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; MAGNETIC PROPERTIES; OPTICAL SWITCHES; PORPHYRINS; PROTONATION; SOLVENTS; SWITCHING;

TOPOLOGY;

EID: 84872715290     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201203295     Document Type: Article

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