Cover Feature: How Different are the Diamagnetic and Paramagnetic Contributions to Off‐Nucleus Shielding in Aromatic and Antiaromatic Rings? (ChemPhysChem 9/2023)
نویسندگان
چکیده
The Cover Feature shows how the change in balance between diamagnetic and paramagnetic contributions to shielding benzene cyclobutadiene leads overall distributions characteristic of aromatic antiaromatic molecules, respectively. More information can be found Research Article by Peter B. Karadakov.
منابع مشابه
Computed NMR Shielding Effects over Fused Aromatic / Antiaromatic Hydrocarbons
Through-space isotropic NMR shielding values of a perpendicular diatomic hydrogen probe moved in a 0.5 Å grid 2.5 Å above several polycyclic aromatic/antiaromatic ring and aromatic/aromatic hydrocarbons were computed with Gaussian 03 at the GIAO HF/6-31G(d,p) level. Combinations of benzene fused with cyclobutadiene, with the tropylium ion, and with the cyclopentadienyl anion were investigated. ...
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ژورنال
عنوان ژورنال: ChemPhysChem
سال: 2023
ISSN: ['1439-7641', '1439-4235']
DOI: https://doi.org/10.1002/cphc.202300226