Barański A.


Even though E-2-phenyl-1-cyano-1-nitroethene
and its phenyl ring-substituted analogues have been known for a long time [1],
their electronic spectra have not been studied so far. The understanding of the
nature of electronic transitions in these nitroalkenes is necessary for predicting
their reactivity in [4+2]
π-electron cycloaddition reactions based on the PMO theory [2-4]. We have
been studying such reactions in detail for many years [5-8]. Hence, in the
present study we recorded UV spectra of model 2-aryl-1-cyano-1-nitroethenes 1-3
and we discuss them based on calculations with the semiempirical
quantum-chemical ZINDO (CI26) method [9]. We successfully pursued a similar
approach earlier [10] for the analysis of UV spectra of E-2-arylnitroethenes
and obtained predictions of their reactivity consistent with experimental

2012, Т. 55, № 9, Стр. 107-109