Experimental techniques and terminology in gas‐phase ion spectroscopy

Abstract

This perspective gives an overview of the action spectroscopy methods for measurements of electronic, vibrational, and rotational spectra of mass‐selected ions in the gas phase. We classify and give a short overview of the existing experimental approaches in this field. There is currently a plethora of names used for, essentially, the same techniques. Hence within this overview, we scrutinized the notations and suggested terms to be generally used. The selection was either driven by making the name unique and straightforward or the term being the most broadly used one. We believe that a simplification and a unification of the notation in ion spectroscopy can make this field better accessible for experts outside the mass spectrometry community where the applications of gas‐phase action ion spectroscopy can make a large impact.

Ion Mobility Mass Spectrometry for Large Synthetic Molecules: Expanding the Analytical Toolbox

“…For example, ions of interest could be further investigated in the gas phase, e.g. via MS 3 platforms 61 where product ions can be isolated again and activated further, 62−65 or examined spectroscopically. 18,61,66 Such approaches, in combination with IM, can potentially inform on their structure, disassembly and stability, without producing them in bulk.…”

“…For example, ions of interest could be further investigated in the gas phase, e.g. via MS 3 platforms where product ions can be isolated again and activated further, − or examined spectroscopically. ,, Such approaches, in combination with IM, can potentially inform on their structure, disassembly and stability, without producing them in bulk. However, stability trends do not necessarily correlate between gas and condensed phases, and some ions could not even be stable at all outside the mass spectrometer.…”

Isomerization of phenanthrene dication studied by tagging photodissociation ion spectroscopy and DFT calculations

“…2 The modern cryogenic ion spectroscopy started with the development of linear multipole in traps 3 and is a method of choice for such validation for ions. 4,5,6,7,8,9,10,11,12 However, the presence of only one ion in the ISM, C60 + , has been experimentally confirmed so far. 13,14,15,16 Searching for potential DIB carriers has been mainly focused on polycyclic aromatic hydrocarbons (PAH) of various sizes and charge states in their ground vibrational states.…”

Modern Electrospray Ionization Mass Spectrometry Techniques for the Characterization of Supramolecules and Coordination Compounds

“…6 The structural characterization of such assemblies is challenging, as X-ray crystallography, NMR spectroscopy, or computational methods are often difficult or not feasible for larger structures. 6 Methods adapted from native MS offer a range of advantages for their characterization over other methods: (a) an ultrahigh mass resolution that enables the unambiguous identification of composition and stoichiometry; 5 (b) the robust analysis of complex product mixtures, where different compounds are separated by their m/z; (c) the hyphenation with other techniques such as chromatography, 7,8 ion mobility, 9,10 or spectroscopy; 11,12 and (d) the potential to adapt characterization workflows to an industrial scale if appropriate. 6 The characterization of supramolecular and coordination compounds using MS has been reviewed regularly, 6,13−25 This tutorial will focus on the practical application of MS (mostly electrospray ionization, ESI) for such inorganic complexes, beginning with technical details as well as potential challenges.…”

“…Methods adapted from native MS offer a range of advantages for their characterization over other methods: (a) an ultrahigh mass resolution that enables the unambiguous identification of composition and stoichiometry; (b) the robust analysis of complex product mixtures, where different compounds are separated by their m / z ; (c) the hyphenation with other techniques such as chromatography, , ion mobility, , or spectroscopy; , and (d) the potential to adapt characterization workflows to an industrial scale if appropriate . The characterization of supramolecular and coordination compounds using MS has been reviewed regularly, ,− including a book published by Schalley and Springer in 2009; however, MS is still not commonly and always confidently used in synthetic inorganic laboratories.…”