STUDY ON THE 1ST ABSORPTION-BANDS S0-]S1 AND S0-]S2 OF 5-METHO XYINDOLE

The experimental and theoretical results obtained for 5-methoxyindole (5MOI) indicate a large energetic difference between the S0 --> S1 and S0 --> S2 transitions indicating a charge distribution very different from that of indole. A weak shoulder on the long wavelength side of t he S0 --> S1 band is attributed to a npi transition associated with t he methoxy substituent. This feature has previously been attributed to a hot band. The effect of solvent on the molecule and the results obt ained by the quantitative quantum CNDO/2 and CNDO/M methods are discus sed.