Detection of NO 2 by hexa- peri -hexabenzocoronene nanographene: A DFT study
نویسندگان
چکیده
منابع مشابه
Self-assembled hexa-peri-hexabenzocoronene graphitic nanotube.
An amphiphilic hexa-peri-hexabenzocoronene self-assembles to form a pi-electronic, discrete nanotubular object. The object is characterized by an aspect ratio greater than 1000 and has a uniform, 14-nanometer-wide, open-ended hollow space, which is an order of magnitude larger than those of carbon nanotubes. The wall is 3 nanometers thick and consists of helical arrays of the pi-stacked graphen...
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The single-wing extension of the bowl-shaped tribenzotriquinacene (TBTQ) framework with polycondensed aromatic hydrocarbon units has been reported. In the course of a Scholl reaction, one of the three-dimensional bays of the TBTQ core has been bridged by a PAH unit to generate a seven-membered ring within the merged TBTQ-(hexa-peri-hexabenzocoronene) scaffold.
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The self-assembled architectures in solution of a new HBC derivative bearing perfluoroalkylated side chains were investigated by optical excitation and emission spectroscopy and correlated to cryo-SEM, a new technique in organic chemistry.
متن کاملThe optical spectrum of a large isolated polycyclic aromatic hydrocarbon: hexa-peri -hexabenzocoronene, C42H18
The first optical spectrum of an isolated polycyclic aromatic hydrocarbon large enough to survive the photophysical conditions of the interstellar medium is reported. Vibronic bands of the first electronic transition of the all benzenoid polycyclic aromatic hydrocarbon hexa-peri -hexabenzocoronene were observed in the 4080 − 4530 Å range by resonant 2-color 2-photon ionization spectroscopy. The...
متن کاملConstruction of single-crystalline supramolecular networks of perchlorinated hexa-peri-hexabenzocoronene on Au(111).
The self-assembly of the perchlorinated hexa-peri-hexabenzocoronene (PCHBC) molecules on Au(111) has been studied by a low temperature scanning tunneling microscopy (STM) combining with density functional theory based first principle calculations. Highly ordered supramolecular networks with single domains limited by the terraces are formed on Au(111) substrate. High resolution images of the PCH...
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ژورنال
عنوان ژورنال: Comptes Rendus Chimie
سال: 2017
ISSN: 1631-0748
DOI: 10.1016/j.crci.2017.01.002