Hannover 2013 – scientific programme

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MO: Fachverband Molekülphysik

MO 26: Electronic Spectroscopy II

MO 26.5: Talk

Thursday, March 21, 2013, 15:00–15:15, F 107

Rotationally resolved electronic spectroscopy of hydroxysubstituted indoles and determination of the characteristics of the electronically excited states. — •Martin Wilke, Olivia Oeltermann, Christian Brand, and Michael Schmitt — Heinrich-Heine-Universität, Institut für Physikalische Chemie I, Düsseldorf

The electronic origin of two bands of deuterated and undeuterated 5-hydroxyindole and a mixture of deuterated isotopomers of 6-hydroxyindole have been investigated using rotationally resolved electronic spectroscopy. By comparison of the experimental results to ab initio calculations the two undeuterated 5-hydroxyindole bands could be assigned to the syn- and anti-conformer. Furthermore, it could be shown that the lowest excited singlet state of the two rotamers has L_b character. A further approval for this assumption comes from the change of the angle between the inertial a-axis and the transition dipole moment vector due to deuteration. On the basis of the rotational constants the two deuterated bands could be identified as the O- and C3- deuterated molecules of 5-hydroxyindole. The calculations of 6-hydroxyindole show a mixed character of the first excited singlet state, so that an unambiguous assignment to L_b or L_a is not possible.