NH-Tautomerism and Visible Absorption Spectra of Porphyrins with Nonsymmetrical substitution
Oscillator Model and MO Calculations
NH-Tautomerism and Visible Absorption Spectra of Porphyrins with Nonsymmetrical substitution: Oscillator Model and MO Calculations / A.M. Zenkevich [et al.] // Chemical Physics Letters. – 1985. – Vol. 120, No 1-2. - P. 63-68.
On the basis or experiments Ihe oscillator model has been established for individual NH tautomers or porphyrins with asymmetrical substitution. CNDO/2 calculations explain the inversion of Q ₓ (O.O) and Q y (O.O) electronic transition intensities in NH tautomers as a consequence of the inversion of LUMO coefficients c₁ and c₂ for fixed x and y molecular oscillators.