Aromaticity Today: Energetic and Structural Criteria

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This article has been cited by 24 ACS Journal articles (5 most recent appear below).

• 

  Resonance and Aromaticity: An Ab Initio Valence Bond Approach

  Zahid Rashid, Joop H. van Lenthe, and Remco W. A. Havenith
  The Journal of Physical Chemistry A2012 116 (19), 4778-4788

  • Resonance and Aromaticity: An Ab Initio Valence Bond Approach

    Zahid Rashid, Joop H. van Lenthe, and Remco W. A. Havenith
    The Journal of Physical Chemistry A2012 116 (19), 4778-4788

    Resonance energy is one of the criteria to measure aromaticity. The effect of the use of different orbital models is investigated in the calculated resonance energies of cyclic conjugated hydrocarbons within the framework of the ab initio Valence Bond ...

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• 

  Theoretical Notions of Aromaticity and Antiaromaticity: Phenalenyl Ions versus Fluorenyl Ions

  Sergey Pogodin and Israel Agranat
  The Journal of Organic Chemistry2007 72 (26), 10096-10107

  • Theoretical Notions of Aromaticity and Antiaromaticity: Phenalenyl Ions versus Fluorenyl Ions

    Sergey Pogodin and Israel Agranat
    The Journal of Organic Chemistry2007 72 (26), 10096-10107

    The dications 6, 7, and 8 and dianions 9, 10, and 11 of the bistricyclic aromatic enes bifluorenylidene (1), 1,1‘-biphenalenylidene (2), and 9-(9H-fluoren-9-ylidene)-1H-phenalene (4), as well as monocations 12a and 13a and monoanions 14a and 15a of ...

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• 

  Dications of Fluorenylidenes. The Relationship between Redox Potentials and Antiaromaticity for Meta- and Para-Substituted Diphenylmethylidenefluorenes

  Nancy S. Mills, Cornelia Tirla, Michele A. Benish, Amber J. Rakowitz, Lisa M. Bebell, Caroline M. M. Hurd, and Anna L. M. Bria
  The Journal of Organic Chemistry2005 70 (26), 10709-10716

  • Dications of Fluorenylidenes. The Relationship between Redox Potentials and Antiaromaticity for Meta- and Para-Substituted Diphenylmethylidenefluorenes

    Nancy S. Mills, Cornelia Tirla, Michele A. Benish, Amber J. Rakowitz, Lisa M. Bebell, Caroline M. M. Hurd, and Anna L. M. Bria
    The Journal of Organic Chemistry2005 70 (26), 10709-10716

    Electrochemical oxidation of meta-substituted diphenylmethylidenefluorenes (3a−g) results in the formation of fluorenylidene dications that are shown to be antiaromatic through calculation of the nucleus independent chemical shift (NICS) for the 5- and 6-...

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• 

  Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches

  Jordi Poater, Miquel Duran, Miquel Solà, and Bernard Silvi
  Chemical Reviews2005 105 (10), 3911-3947

  • Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches

    Jordi Poater, Miquel Duran, Miquel Solà, and Bernard Silvi
    Chemical Reviews2005 105 (10), 3911-3947
    Abstract | Full Text HTML | Hi-Res PDF | PDF w/ Links
• 

  Antiaromaticity in Fluorenylidene Dications. Experimental and Theoretical Evidence for the Relationship between the HOMO/LUMO Gap and Antiaromaticity

  Nancy S. Mills, Amalia Levy, and Benjamin F. Plummer
  The Journal of Organic Chemistry2004 69 (20), 6623-6633

  • Antiaromaticity in Fluorenylidene Dications. Experimental and Theoretical Evidence for the Relationship between the HOMO/LUMO Gap and Antiaromaticity

    Nancy S. Mills, Amalia Levy, and Benjamin F. Plummer
    The Journal of Organic Chemistry2004 69 (20), 6623-6633

    The relationship between the calculated energy of the HOMO−LUMO gap, where (εLUMO − εHOMO)/2 is defined as ΔHL, and of the longest wavelength transition in the UV−visible spectrum, ΔE, was examined for a series of aromatic and antiaromatic cations and ...

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