UV SPECTRA OF E-2-ARYL-1-CYANO-1-NITROETHENES

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-2arylnitroethenes and obtained predictions of their reactivity consistent with experimental results.

• Barański A.
• Jasiński R.
• Sharnin V.A.

• Социальные (общественные) науки
• Естественные науки