π-Extended and Curved Antiaromatic Polycyclic Hydrocarbons
نویسندگان
چکیده
منابع مشابه
Polycyclic antiaromatic hydrocarbons.
Magnetically induced current densities have been calculated for a series of hydrocarbons consisting of hexadehydro[12]annulene rings alternatingly fused with benzenes. The calculations show that all molecular rings of the studied molecules sustain paramagnetic ring currents. The new class of molecules is therefore coined polycyclic antiaromatic hydrocarbons (PAAH).
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We present a theoretical study of the bonding of atomic phosphorus to planar hydrocarbons and to curved graphite-like surfaces. We find that bonding of phosphorus to planar polycyclic hydrocarbons induces curvature away from the phosphorus atom, as defined by the pyramidalization angle. Similarly, bonding of atomic phosphorus to the [5,5] fulvalene-circulene semifullerene and buckminsterfullere...
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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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Electrochromatography is utilized to separate a mixture of 16 different polycyclic aromatic hydrocarbons (PAHs). Fused-silica capillary columns ranging in size from 50 to 150 pm i.d. were packed (20-40-cm sections) with 3-pm octadecylsilica particles. A potential of 15-30 kV is applied across the 30-50-cm total length capillary column to generate electroosmotic flow that carries the PAHs throug...
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ژورنال
عنوان ژورنال: Journal of the American Chemical Society
سال: 2017
ISSN: 0002-7863,1520-5126
DOI: 10.1021/jacs.7b01619