Infrared spectroscopy of CHCl2+ molecular dications

Jašík, Juraj; Roithová, Jana

doi:10.1016/j.ijms.2014.07.001

Cited by 12 publications

(13 citation statements)

References 43 publications

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“…He binding to metal oxide cations can be as strong as 12 kJ mol −1 (see, for example, [Al 3 O 4 ,He 3 ] + ) or higher (e.g., [FeO 2 , He] + ) and leads to spectral shifts of up to ≈20 cm −1 . In dications these effects can be rather strong ([HCCl,He] 2+ ) but do not necessarily need to be more pronounced ([C 7 H 6 ,He] 2+ ) . Interestingly, the prototypical large amplitude motion in protonated methane is predicted to remain nearly unperturbed by He‐tagging …”

Section: Cryogenic Ion Trap Vibrational Spectroscopymentioning

confidence: 99%

Identification of Active Sites and Structural Characterization of Reactive Ionic Intermediates by Cryogenic Ion Trap Vibrational Spectroscopy

Schwarz

Asmis

2019

Chemistry A European J

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Cryogenic ion trap vibrational spectroscopy paired with quantum chemistry currently represents the most generally applicable approach for the structural investigation of gaseous cluster ions that are not amenable to direct absorption spectroscopy. Here, we give an overview of the most popular variants of infrared action spectroscopy and describe the advantages of using cryogenic ion traps in combination with messenger tagging and vibrational predissociation spectroscopy. We then highlight a few recent studies that apply this technique to identify highly reactive ionic intermediates and to characterize their reactive sites. We conclude by commenting on future challenges and potential developments in the field.

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Section: Cryogenic Ion Trap Vibrational Spectroscopymentioning

confidence: 99%

Identification of Active Sites and Structural Characterization of Reactive Ionic Intermediates by Cryogenic Ion Trap Vibrational Spectroscopy

Schwarz

Asmis

2019

Chemistry A European J

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“…The optimum tag gas concentration will depend on the design of the trap and the trade-offs of maximizing the yield of singly-tagged ions, while still allowing the ion trap to be operated for a number of hours. To put the discussions above into context, so far, He [48, 49], H 2 [4, 16], D 2 [46], Ne [48], and N 2 [48] have already been shown to be successfully tagged onto ions in cryogenic traps, but this feat remains to be implemented for higher-temperature melting point gases, such as for instance Ar.…”

Section: Considerations On Experimental Methodologies and Instrumentamentioning

confidence: 99%

Making Mass Spectrometry See the Light: The Promises and Challenges of Cryogenic Infrared Ion Spectroscopy as a Bioanalytical Technique

Cismesia

Bailey

Bell

et al. 2016

J. Am. Soc. Mass Spectrom.

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The detailed chemical information contained in the vibrational spectrum of a cryogenically cooled analyte would, in principle, make infrared (IR) ion spectroscopy a gold standard technique for molecular identification in mass spectrometry. Despite this immense potential, there are considerable challenges in both instrumentation and methodology to overcome before the technique is analytically useful. Here, we discuss the promise of IR ion spectroscopy for small molecule analysis in the context of metabolite identification. Experimental strategies to address sensitivity constraints, poor overall duty cycle, and speed of the experiment are intimately tied to the development of a mass-selective cryogenic trap. Therefore, the most likely avenues for success, in the authors? opinion, are presented here, alongside alternative approaches and some thoughts on data interpretation.

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“…Another assumption is that the weak binding of the tag only subtly affects the inherent absorption spectrum of the ion. In the 2000’s, it was demonstrated that ions could also be cooled and tagged in cryogenic ion traps [9–11], either with He [12, 13], H 2 [14, 15], D 2 [16, 17], N 2 [18, 19]or Ne [20](so far), and that this approach could then be employed to measure cryogenic IR spectra of ions [12, 18, 20–26]. This major advance in principle allows the coupling of any ionization technique with cryogenic spectroscopic interrogation.…”

Section: Introductionmentioning

confidence: 99%

Operation and Performance of a Mass-Selective Cryogenic Linear Ion Trap

Tesler

Cismesia

Bell

et al. 2018

J. Am. Soc. Mass Spectrom.

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We report on the performance of a cryogenic 2D linear ion trap (cryoLIT) that is shown to be mass-selective in the temperature range of 17-295 K. As the cryoLIT is cooled, the ejection voltages during the mass instability scan decrease, which results in an effective mass shift to lower m/z relative to room temperature. This is attributed to a decrease in trap radius caused by thermal contraction. Additionally, the cryoLIT generates reproducible mass spectra from day-to-day, and is capable of performing stored waveform inverse Fourier transform (SWIFT) mass isolation of fragile N-tagged ions for the purpose of background-free infrared dissociation spectroscopy. Graphical Abstract ᅟ.

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Infrared spectroscopy of CHCl2+ molecular dications

Cited by 12 publications

References 43 publications

Identification of Active Sites and Structural Characterization of Reactive Ionic Intermediates by Cryogenic Ion Trap Vibrational Spectroscopy

Identification of Active Sites and Structural Characterization of Reactive Ionic Intermediates by Cryogenic Ion Trap Vibrational Spectroscopy

Making Mass Spectrometry See the Light: The Promises and Challenges of Cryogenic Infrared Ion Spectroscopy as a Bioanalytical Technique

Operation and Performance of a Mass-Selective Cryogenic Linear Ion Trap

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