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Electronic Spectra and Conformation of Some Heterocyclic Derivates of 5H-Dibenzo(a, d)cycloheptene

The electronic transitions in 5H-dibenzo (a,d)-cycloheptene (1), 5H-dibenz(b,f)azepine (2), dibenz( b,f)oxepine (3), 5-dibenzo(a,d)cyclohepten-5-one (4), dibenzo(b,f)thiepine (5) and dibenzo (b,f) selenepine (6) have been calculated by the SCF LCAO MO CI method for model conformations and compared with experimental uv absorption spectra. The spectral characteristics and conformations of the title compounds and their relationship to cis-stilbene and o-substituted cis-stilbenes are discussed.

Electronic spectra; dibenzo cycloheptene; Conformations

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