@article{7110, author = {M. K. Drayss and D. Blunk and J. Oomens and N. Polfer and C. Schmuck and B. Gao and T. Wyttenbach and M. T. Bowers and M. Schafer}, title = {Gas-phase structures of solution-phase zwitterions: Charge solvation or salt bridge?}, abstract = {Sodium and lithium adduct ions of a synthetic guanidiniocarbonylpyrrole-derivative are examined in the gas phase. A wavelength tunable free electron laser (FEL) was used for photo-dissociation spectroscopy experiments in the infrared (1400-1800 cm(-1)). The photo-dissociation spectra are compared to calculated IR spectra of structures identified by theory. All photo-dissociation spectra acquired are strikingly similar, indicating that all ions adopt analogous gas-phase structures. Additionally, the respective sodium adduct ions were examined with ion mobility mass spectrometry (IMS). Although computational efforts succeeded in finding a charge solvated conformer that matched both the photo-dissociation spectra and the IMS data, the predicted global minimum was a salt-bridge structure. (C) 2008 Elsevier B.V. All rights reserved.}, year = {2009}, journal = {International Journal of Mass Spectrometry}, volume = {281}, number = {1-2}, pages = {97-100}, month = {Mar}, isbn = {1387-3806}, url = {://000263756000016 }, note = {ISI Document Delivery No.: 412WXTimes Cited: 0Cited Reference Count: 18}, language = {English}, }