π-Electron ring-currents and bond-currents in [10,5]-Coronene and related structures conforming to the ‘Annulene-Within-an-Annulene’ model
نویسندگان
چکیده
منابع مشابه
Aromaticity , - electron delocalization , and ring currents *
The magnetic criterion of aromaticity is based on the ability of a cyclic system to support a ring current. If the ring current has the diatropic sense, the system is aromatic; if the sense is paratropic, the system is antiaromatic. Attribution of aromaticity ab initio therefore reduces to the calculation and visualization of induced current density. This can be achieved at modest computational...
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π-Electron ring-currents for the altans of the four regular [r,s]-coronenes are calculated by the topological HLPM approach. The bond-current pattern of the parent structure is generally preserved in the core of the corresponding altan. Altan-[10,5]-coronene appears to support an anomalous diamagnetic current in its [4n]-periphery. This invites further investigation.
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2013
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c3cp00053b