Magnetic circular dichroism of heterocycles: thiophene

Artikel i vetenskaplig tidskrift, 1977

The existence of two transitions with opposite MCD in the 38000–45000 cm−1 absorption of thiophene is demonstrated. The B-term for the lowest transition is negative, while it is positive for the higher one. Quantum mechanical calculations in the π-electron approximation resulted in energies, oscillator strengths and MCD terms in good agreement with the observed spectra.