Assessment of Clar's aromatic π-sextet rule by means of PDI, NICS and HOMA indicators of local aromaticity

Journal of Physical Organic Chemistry

Volumn 18, Issue 8, 2005, Pages 785-791

  Portella, Guillem ^a   Poater, Jordi ^b   Solà, Miquel ^a  

^a UNIVERSITY OF GIRONA   (Spain)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

Clar's aromatic sextet rule; Harmonic oscillator model of aromaticity (HOMA); Local aromaticity; Nucleus independent chemical shift (NICS); Para delocalization index (PDI); Polycyclic aromatic hydrocarbons (PAHs)

Indexed keywords

CHEMICAL ANALYSIS; CORRELATION METHODS; DECOMPOSITION; POLYCYCLIC AROMATIC HYDROCARBONS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; SINGLE CRYSTALS;

CLAR'S AROMATIC Π-SEXTET RULE; HARMONIC OSCILLATORS MODEL OF AROMATICITY (HOMA); LOCAL AROMATICITY; MECLEUS INDEPENDENT CHEMICAL SHIFT (NICS); PARA-DECOALIZATION INDEX (PDI);

BENZENE;

EID: 22544464464     PISSN: 08943230     EISSN: None     Source Type: Journal    
DOI: 10.1002/poc.938     Document Type: Article

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