Electronic states of 1,6,6a lambda4-trithiapentalene and its 2,5-dimethyl and 2,5-diphenyl derivatives. Ultraviolet-visible linear dichroism spectroscopy and time-dependent density functional theory calculations.

@article{SpangetLarsen2002ElectronicSO,
  title={Electronic states of 1,6,6a lambda4-trithiapentalene and its 2,5-dimethyl and 2,5-diphenyl derivatives. Ultraviolet-visible linear dichroism spectroscopy and time-dependent density functional theory calculations.},
  author={Jens Spanget-Larsen},
  journal={Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy},
  year={2002},
  volume={58 10},
  pages={
          2245-55
        }
}
  • J. Spanget-Larsen
  • Published 1 August 2002
  • Chemistry
  • Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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    Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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Abstract The X-ray structure of 2,5-bis(piperidyl)-3,4-diaza-1,6,6aλ4−trithiapentalene (1, R = piperidyl) is reported and compared with the equilibrium geometries calculated for the
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13C NMR spectra of unsubstituted 1,6,6aλ4-trithiapentalene and a series of methyl and phenyl substituted 1,6,6aλ4-trithiapentalenes have been recorded. The spectra have been assigned by comparison
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Time-dependent density functional theory (TDDFT) is applied to calculate vertical excitation energies of trans-1,3-butadiene, trans−trans-1,3,5-hexatriene, all-trans-1,3,5,7-octatetraene, and
The Physical Chemistry of 1,2-Dithiole Compounds-the Question of Aromaticity
Abstract The parent compound, the 1,2-dithiolylium ion, can by successive addition of vinylenethio groups give rise to higher polycyclic systems each composed of 1,2-dithiole rings with the sulfur
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