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The singlet nπ* states of para-benzoquinone

✍ Scribed by Gerard Ter Horst; Jan Kommandeur

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
515 KB
Volume
44
Category
Article
ISSN
0301-0104

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The single crystal absorption spectra of p-benzoquinonc and toluquinone have been observed at 4.2OK for three perpendicular directions of polarization. The electronic otQins of the two n-n\* transitions are located; their separation amounts to 255 cm-\* inp-benzoquinone and 560 cm-l in toluquinone.

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The spectra of phosphorescence and of the degree of anisotropy of p-benzoquinone and of p-toluquinone have been investigated iu elassv solutions at -180°C. The phosphorescence of these compounds is assigned to a symmetry fokidden T' (nn\*j -S-transition.

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## Abstract VE‐PPP, CNDO/2, and CNDO/s‐CI methods have been used to investigate the electronic spectrum and structure of benzaldehyde. Electronic charge distributions and bond orders in the ground and lowest excited singlet π\* ← π and π\* ← __n__ states of the molecule have been studied. The molec