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Magnetic circular dichroism spectra of decacyclene and hexabenzocoronene

机译:Magnetic circular dichroism spectra of decacyclene and hexabenzocoronene

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The magnetic circular dichroism (MCD) spectra of decacyclene (I) and hexabenzocoronene (II) have been measured. The absorption spectra of I and II located in the lowest wavenumber region (22ndash;30times;103cmminus;1) were assigned by using the MCD spectra and the results of the SCF screened potential pgr;hyphen;MO CI calculations. The1Eprime; and1Eluexcited states of I and II are located at 26.5 and 26.1times;103cmminus;1, respectively. The calculated Faraday A/D values for these excited states agreed well with the experimental values both in signs and in magnitudes. The calculated FaradayBvalues for these excited states tended to be larger than the experimental values.

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