期刊
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
卷 281, 期 1-2, 页码 97-100出版社
ELSEVIER
DOI: 10.1016/j.ijms.2008.12.011
关键词
Mass spectrometry; Gas-phase ion structure; Molecular modeling; Photo action spectroscopy; Ion mobility-MS
资金
- Nederlandse Organisatie voor Wetenschappelijk Onderzoek
- German research Foundation (DFG)
- National Science Foundation (USA) [CHE-0503728]
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.
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