Absorption spectra of <em>p-Nitrophenolate </em>Anions <em>in Vacuo </em>and in Solution

Chemphyschem 10, 1207 - 1209 (2009)

Absorption spectra of p-Nitrophenolate Anions in Vacuo and in Solution

M-B.S. Kirketerp, M.A. Petersen, M. Wanko, L.A. Espinosa Leal, H. Zettergren, F.M. Raymo, A. Rubio, M. Brøndsted Nielsen, S. Brøndsted Nielsen

We have recorded gas phase absorption spectra of four nitrophenolate anions and found that the CC2 model provides excellent predictions of the maxima. While a relatively narrow spectral region is covered in solution by the four chromophores, they cover in fact the entire visible region when isolated in vacuo. The large shifts can be explained by the CT character of the electronic transition. Calculations reveal that the solvent shift is mainly a result of counter ion and H-bond interactions. Therefore it does not seem viable to correlate the data with one of the solvent polarity scales. For setting the reference point for the intrinsic absorptions of the chromophore anions, gas phase results are indeed required.

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Cover Page of Issue 08/2009

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