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Molecular orbital calculations of perylenetetracarboxylic monoimide and bisimide. Alkyl derivatives and heteroatom analogs

✍ Scribed by Ricardo Mercadante; Milan Trsic; Jim Duff; Ricardo Aroca


Book ID
114142145
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
565 KB
Volume
394
Category
Article
ISSN
0166-1280

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Single-crystal x-ray diffraction studies are reported for 3,4-dimethyl (I), 3-methyl-4-phenyl (II) and 3,4-diphenyl (III) derivatives of 1,2,5-thiadiazole 1,1-dioxide. Ab initio MO calculations on the electronic structure, conformation and reactivity of I, II and III are also reported and compared w