Phys. Chem. Chem. Phys., 2004, 6

Additions and corrections

Vibrational study of the S0 and S1 states of 2-naphthyl-1-ethanol/(water)2 and 2-naphthyl-1-ethanol/(methanol)2 complexes by IR/UV double resonance spectroscopy

N. Seurre, J. Sepio, F. Lahmani, A. Zehnacker-Rentien and K. Le Barbu-Debus

Phys. Chem. Chem. Phys., 2004, 6, DOI: 10.1039/b405276e. Amendment published 26th August 2004

In the captions for Figs. 3 and 4 the words "cyclic" and "bridged" should be swapped: the bridged structure is associated with the solid lines and the cyclic with the broken lines.

Fig. 3 IR absorption spectra of the NapOH/water 1:2 complex measured by fluorescence dip IR/UV double resonance techniques. The UV probe is fixed on the band at –30 cm–1 from the 0–0 transition of NapOH. The S0 and S1 IR spectra are resolved by adjusting spatially the relative position of the beams in the interaction zone of the jet. (a) IR and UV beams are superimposed; (b) UV beam is shifted upstream from IR; (c) IR beam is set upstream from UV; the stick diagram shows the computed spectra (DFT B3LYP/6-31G**) obtained by applying a scaling factor of 0.96 to the calculated harmonic frequencies for the bridged structure and /// for the cyclic one.

Fig. 4 IR absorption spectra of the NapOH/methanol 1:2 complex measured by fluorescence dip IR/UV double resonance techniques. The UV probe is fixed on the band IIR at –55 cm–1 from the 0–0 transition of NapOH. The S0 and S1 IR spectra are resolved by adjusting spatially the relative position of the beams in the interaction zone of the jet. (a) IR and UV beams are superimposed; (b) UV beam is shifted upstream from IR; (c) IR beam is set upstream from UV; the stick diagram shows the computed spectra (DFT B3LYP/6-31G**) obtained by applying a scaling factor of 0.96 to the calculated harmonic frequencies for the bridged structure and /// for the cyclic one.


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