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SCF MO calculations on excited singlet-singlet and triplet-triplet transitions of 1,2 : 3,4-dibenzanthracene, 1,12-benzperylene and 3,4-benzcoronene

✍ Scribed by D. Lavalette; C. Tetreau; J. Langelaar

Publisher: Elsevier Science
Year: 1971
Tongue: English
Weight: 423 KB
Volume: 9
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(71)80230-0

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✦ Synopsis

The results of SCF MO c~cu~atio~ on excited S-S and T-T tra~i~o~ are compared with ex'peri- meats for l,2 :3,4_dibemanthracene, l,l2-banzperylone and 3.Gbenzcoronene.

The ngreement is rensannbla for the triplet but lees satisfactory for the sing!et trunsitious. The conditiana under which simflnrities between S-S nnd T-T spectra can be expected ncc discussed.

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