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Volumn 10, Issue 4, 2000, Pages 879-886

Synthesis and crystal packing of large polycyclic aromatic hydrocarbons: Hexabenzo[bc,ef,hi,kl,no,qr]coronene and dibenzo[fg,ij]phenanthro[9,10,1,2,3- pqrst]pentaphene

Author keywords

[No Author keywords available]

Indexed keywords

DIBENZO[FG,IJ]PHENANTHRO[9,10,1,2,3 PQRST]PENTAPHENE; HEXABENZO[BC,EF,HI,KL,NO,QR]CORONENE; POLYCYCLIC AROMATIC HYDROCARBON; UNCLASSIFIED DRUG;

EID: 0034036543     PISSN: 09599428     EISSN: None     Source Type: Journal    
DOI: 10.1039/a908941a     Document Type: Article
Times cited : (84)

References (37)
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    • The AM1 structure optimization was performed using Spartan 4.0 by Wavefunction Inc., Irvine, CA, starting with a planar central aromatic core and the free phenyl ring orthogonal to it as well as at an angle of 45°
    • 10 The AM1 structure optimization was performed using Spartan 4.0 by Wavefunction Inc., Irvine, CA, starting with a planar central aromatic core and the free phenyl ring orthogonal to it as well as at an angle of 45°.
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    • 6 cathode operating at 120 kV in low-dose mode at nominally 60000 times magnification. The electron diffraction patterns were calibrated with T1C1 and the measurements done with a selected area aperture of 40 μm. The high-resolution images were calibrated using a grid with 2160 lines per mm. The samples were prepared by ultrasonication of the PAH in methanol. After precipitation of the larger crystals the remaining dispersion was sonicated again and the dispersion dried on a copper grid covered with amorphous carbon film
    • 6 cathode operating at 120 kV in low-dose mode at nominally 60000 times magnification. The electron diffraction patterns were calibrated with T1C1 and the measurements done with a selected area aperture of 40 μm. The high-resolution images were calibrated using a grid with 2160 lines per mm. The samples were prepared by ultrasonication of the PAH in methanol. After precipitation of the larger crystals the remaining dispersion was sonicated again and the dispersion dried on a copper grid covered with amorphous carbon film.
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    • -5 mbar. A self-made oven which was heated on one side was used for the sublimation. The temperature gradient was calibrated with a thermal element.
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    • The size of the channel was determined as the distance between atomic centers of hydrogen atoms on opposite sides of the cavity with twice the van der Waals radius for hydrogen subtracted
    • 17 The size of the channel was determined as the distance between atomic centers of hydrogen atoms on opposite sides of the cavity with twice the van der Waals radius for hydrogen subtracted.
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    • 2 Version 3.5 by Molecular Simulations Inc.
    • 2 Version 3.5 by Molecular Simulations Inc.
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    • The Fourier transformation was performed using the program Analysis 2.11 by Soft-Imaging GmbH.
    • 19 The Fourier transformation was performed using the program Analysis 2.11 by Soft-Imaging GmbH.
  • 37


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