BerlinTrap: A new cryogenic 22-pole ion trap spectrometer

Effect of alkali ions on optical properties of flavins: vibronic spectra of cryogenic M+lumiflavin complexes (M = Li–Cs)

“…[27][28][29] In contrast, vibronic resolution in electronic VISPD spectra of such ions can only be achieved at temperatures well below 100 K because only then can extensive spectral congestion from hot bands be avoided. [30][31][32]40,41 In general, these studies reveal that the preferred protonation and metalation sites strongly depend on the substituent R of the avin as well as the size and type of the metal ion, as illustrated for the alkali and coinage metal ions, M ¼ Li-Cs and Cu-Au. [30][31][32] The most thoroughly studied so far are cations derived from LC and LF.…”

“…To this end, we recently started a research program to systematically characterize the geometric and electronic properties of avin ions in their protonated, metalated, and microsolvated states by infrared and optical photodissociation spectroscopy coupled to electrospray ionization (ESI) techniques for ion generation in the gas phase. [27][28][29][30][31][32] Apart from our contributions to avin spectroscopy summarized below, a few other studies on isolated avins have appeared recently. The pioneering uorescence spectrum of LF embedded in He droplets (T ¼ 0.4 K) exhibits vibrational resolution and was assigned to the S 1 ) S 0 (pp*) transition by comparison to quantum chemical calculations coupled to multidimensional Franck-Condon (FC) simulations.…”

“…In the past few years, our group has applied infrared and optical photodissociation spectroscopy to mass-selected avin ions, with the aim of characterizing the geometric, vibrational, and electronic structure of a number of protonated and metalated avins ranging from LC to FMN in the electronic ground and rst excited singlet states (S 0 , S 1 ). [27][28][29][30][31][32] The avin ions are generated by ESI in the gas phase and subsequently studied by (1) infrared multiple-photon dissociation (IRMPD) in an Fourier-transform ion cyclotron resonance mass spectrometer [27][28][29] and (2) by electronic photodissociation in the visible range (VISPD) in a cryogenic ion trap coupled to a quadrupole/time-of-ight tandem mass spectrometer (Ber-linTrap). [30][31][32] Signicantly, these studies report the rst (and to date only) vibrationally-resolved spectra of avins isolated in the gas phase, and thus provide for the rst time reliable experimental information about protonation and metalation sites as well as their impact on the electronic properties.…”

“…[27][28][29][30][31][32] The avin ions are generated by ESI in the gas phase and subsequently studied by (1) infrared multiple-photon dissociation (IRMPD) in an Fourier-transform ion cyclotron resonance mass spectrometer [27][28][29] and (2) by electronic photodissociation in the visible range (VISPD) in a cryogenic ion trap coupled to a quadrupole/time-of-ight tandem mass spectrometer (Ber-linTrap). [30][31][32] Signicantly, these studies report the rst (and to date only) vibrationally-resolved spectra of avins isolated in the gas phase, and thus provide for the rst time reliable experimental information about protonation and metalation sites as well as their impact on the electronic properties. The IRMPD spectra recorded at room temperature display sufficient vibrational resolution to determine the preferred protonation and metalation sites of the avins in the S 0 state by comparison to quantum chemical density functional theory (DFT) calculations.…”

Infrared ion spectroscopy inside a mass‐selective cryogenic 2D linear ion trap

“…Designs of cryogenic ion traps are another area that requires further developments in order to make the technique compatible with the high sensitivity requirements of biological samples. Cryogenic trap designs thus far have emphasized the capabilities of these traps to cool ions down to very low temperatures . Tagged ions are then generally moved to other mass analyzers, such as a time‐of‐flight drift tube for mass‐selective manipulation.…”