| Title | Gas-phase structures of solution-phase zwitterions: Charge solvation or salt bridge? |
| Publication Type | Journal Article |
| Year of Publication | 2009 |
| Authors | Drayss MK, Blunk D, Oomens J, Polfer N, Schmuck C, Gao B, Wyttenbach T, Bowers MT, Schafer M |
| Journal | International Journal of Mass Spectrometry |
| Volume | 281 |
| Pagination | 97-100 |
| Date Published | Mar |
| Type of Article | Article |
| ISBN Number | 1387-3806 |
| Accession Number | ISI:000263756000016 |
| Keywords | action spectroscopy, AMINO-ACIDS, COMPLEXES, Gas-phase ion structure, INFRARED-SPECTROSCOPY, Ion mobility-MS, IONS, Mass spectrometry, molecular modeling, Photo |
| 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. |
| URL | http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=Test&SrcApp=TestApp&DestLinkType=FullRecord&KeyUT=000263756000016&DestApp=WOS |
| Department | GUTHz |
| Alternate Journal | Int. J. Mass Spectrom. |
