Magnetic analysis (NICS) of monoarylic cations. Linear relationship between aromaticity and Hammett constants (σp+)

Iñaki Morao, Ian H. Hillier

    Research output: Contribution to journalArticlepeer-review

    Abstract

    Density Functional Theory (DFT) calculations show that there is a linear correlation between NICS values (aromaticity criterion) and experimental Hammett (Brown) constants (σp+), together with other computed parameters for p-substituted benzyl cations. © 2001 Elsevier Science Ltd.
    Original languageEnglish
    Pages (from-to)4429-4431
    Number of pages2
    JournalTetrahedron Letters
    Volume42
    Issue number27
    DOIs
    Publication statusPublished - 2 Jul 2001

    Keywords

    • Aromaticity
    • DFT calculations
    • Hammett constants
    • NICS

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