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Photophysical and theoretical investigations of the [8] cycloparaphenylene radical cation and its charge-resonance dimer
Journal article   Peer reviewed

Photophysical and theoretical investigations of the [8] cycloparaphenylene radical cation and its charge-resonance dimer

Matthew R. Golder, Bryan M. Wong, Ramesh Jasti and Vance G Nielsen
Chemical science (Cambridge), v 4(11), pp 4285-4291
01 Jan 2013

Abstract

Chemistry Chemistry, Multidisciplinary Physical Sciences Science & Technology
Treatment of [ 8] cycloparaphenylene (CPP) with the oxidant triethyloxonium hexachloroantimonate afforded an isolable radical cation of the parent carbon nanohoop. The photophysical properties of [8] CPPradical anion SbCl6- were investigated, showing the presence of two absorptions at 535 nm and 1115 nm. Time-dependent density functional theory (DFT) calculations were used to examine these optical absorptions, revealing a delocalized, quinoidal carbon nanohoop. Upon mixing with neutral [8] cycloparaphenylene, the formation of an unusually strong charge-resonance complex ([8]CPP2)radical anion was observed. Spectroscopic and computational studies were indicative of extensive intermolecular charge delocalization between the two carbon nanohoops as well.

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Chemistry, Multidisciplinary
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