Infrared absorption spectrum of Ar–HN2+ in a supersonic slit expansion

Speck, Thomas; Linnartz, H.; Maier, John P.

doi:10.1063/1.475023

Cited by 41 publications

(26 citation statements)

References 17 publications

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“…The spectrum of the monomer species tagged with argon was measured and found to be essentially the same as that reported previously at higher resolution. 46 The neat proton-bridged dimer species did not photodissociate when excited in the infrared region of this experiment. This is consistent with the experimental binding energy for the elimination of N 2 , which is 16 kcal/mol ͑5600 cm −1 ͒.…”

Section: Resultsmentioning

confidence: 63%

“…[44][45][46][47] High resolution spectroscopy has been reported for N 2 H + and N 2 D + , in both the 1 ͑mainly hydrogen stretch͒ 44 and 3 ͑mainly nitrogen stretch͒ 45 fundamentals, using a variety of laser/plasma configurations. In recent molecular beam experiments, absorption spectroscopy in a slit expansion has been applied to ArN 2 H + and ArN 2 D + .…”

Section: Introductionmentioning

confidence: 99%

“…In recent molecular beam experiments, absorption spectroscopy in a slit expansion has been applied to ArN 2 H + and ArN 2 D + . 46 Infrared photodissociation spectroscopy has also been described for the corresponding HN 2 + ͑Ne͒ n complexes. 47 The nitrogen stretch vibration of the protonbridged dimer has also been studied for both the N 2 -H + -N 2 and N 2 -D + -N 2 species at high resolution.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Infrared spectroscopy of the protonated nitrogen dimer: The complexity of shared proton vibrations

Ricks

Douberly

Duncan

2009

The Journal of Chemical Physics

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The proton-bridged dimers of nitrogen, e.g., N2–H+–N2 and N2–D+–N2, are produced in a pulsed-discharge supersonic nozzle source, mass selected in a reflectron time-of-flight spectrometer, and studied with infrared photodissociation spectroscopy using the method of messenger atom tagging with argon. Both complexes are studied from 700–4000 cm−1. These spectra reproduce the high frequency vibrations seen previously but discover many new vibrational bands, particularly those in the region of the shared proton modes. Because of the linear structure of the core ions, simple vibrational spectra are expected containing only the antisymmetric N–N stretch and two lower frequency modes corresponding to proton stretching and bending motions. However, many additional bands are detected corresponding to various combination bands in this system activated by anharmonic couplings of the proton motions. The anharmonic coupling is stronger for the H+ system than it is for the D+ system. Using anharmonic proton vibrations computed previously and combinations of computed harmonic frequencies, reasonable assignments can be made for the spectra of both isotopomers. However, advanced anharmonic computational treatments are needed for this system to confirm these assignments.

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Section: Resultsmentioning

confidence: 63%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Infrared spectroscopy of the protonated nitrogen dimer: The complexity of shared proton vibrations

Ricks

Douberly

Duncan

2009

The Journal of Chemical Physics

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“…The van der Waals (vdW) complexes of HN 2 + with He, [23][24][25] Ne, 26,27 and Ar (Refs. [28][29][30] have been generated in supersonic beam along with electron impact ionization, and the vibrational energy levels have been probed using IR spectroscopy. Ab initio calculations along with IR spectral data indicate that the Rg-HN 2 + complexes possess linear structure, and the Rg atoms are attached to the proton end of the HN 2 + ion.…”

Section: Introductionmentioning

confidence: 99%

Theoretical investigation of rare gas hydride cations: HRgN2+ (Rg=He, Ar, Kr, and Xe)

Jayasekharan

Ghanty

2012

The Journal of Chemical Physics

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Rare gas containing protonated nitrogen cations, HRgN(2)(+) (Rg=He, Ar, Kr, and Xe), have been predicted using quantum computational methods. HRgN(2)(+) ions exhibit linear structure (C(∞v) symmetry) at the minima and show planar structure (C(s) symmetry) at the transition state. The stability is determined by computing the energy differences between the predicted ions and its various unimolecular dissociation products. Analysis of energy diagram indicates that HXeN(2)(+) is thermodynamically stable with respect to dissociated products while HHeN(2)(+), HArN(2)(+), and HKrN(2)(+) ions are metastable with small barrier heights. Moreover, the computed intrinsic reaction coordinate analysis also confirms that the minima and the 2-body global dissociation products are connected through transition states for the metastable ions. The coupled-cluster theory computed dissociation energies corresponding to the 2-body dissociation (HN(2)(+) + Rg) is -288.4, -98.3, -21.5, and 41.4 kJ mol(-1) for HHeN(2)(+), HArN(2)(+), HKrN(2)(+), and HXeN(2)(+) ions, respectively. The dissociation energies are positive for all the other channels implying that the predicted ions are stable with respect to other 2- and 3-body dissociation channels. Atoms-in-molecules analysis indicates that predicted ions may be best described as HRg(+)N(2). It should be noted that the energetic of HXeN(2)(+) ion is comparable to that of the experimentally observed stable mixed cations, viz. (RgHRg')(+). Therefore, it may be possible to prepare and characterize HXeN(2)(+) ions in an electron bombardment matrix isolation technique.

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“…Direct absorption has been applied to ions in cells, [5][6][7] fast ion beams, 8,9 and supersonic expansions. [10][11][12] Large molecular ions usually suffer from severe fragmentation in these sources so that other ionization sources and/or mass selectivity are required. However, ion densities may thereby be reduced such that direct laser absorption techniques become quite difficult, if not impossible, to apply.…”

Section: Introductionmentioning

confidence: 99%

Free electron laser-Fourier transform ion cyclotron resonance mass spectrometry facility for obtaining infrared multiphoton dissociation spectra of gaseous ions

Valle

Eyler

Oomens

et al. 2005

Review of Scientific Instruments

297

239

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A Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer has been installed at a free electron laser (FEL) facility to obtain infrared absorption spectra of gas phase ions by infrared multiple photon dissociation (IRMPD). The FEL provides continuously tunable infrared radiation over a broad range of the infrared spectrum, and the FT-ICR mass spectrometer, utilizing a 4.7 Tesla superconducting magnet, permits facile formation, isolation, trapping, and high-mass resolution detection of a wide range of ion classes. A description of the instrumentation and experimental parameters for these experiments is presented along with preliminary IRMPD spectra of the singly-charged chromium-bound dimer of diethyl ether ͑Cr͑C 4 H 10 O͒ 2 + ͒ and the fluorene molecular ion ͑C 13 H 10 + ͒. Also presented is a brief comparison of the fluorene cation spectrum obtained by the FT-ICR-FEL with an earlier spectrum recorded using a quadrupole ion trap (QIT).

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Infrared absorption spectrum of Ar–HN2+ in a supersonic slit expansion

Cited by 41 publications

References 17 publications

Infrared spectroscopy of the protonated nitrogen dimer: The complexity of shared proton vibrations

Infrared spectroscopy of the protonated nitrogen dimer: The complexity of shared proton vibrations

Theoretical investigation of rare gas hydride cations: HRgN2+ (Rg=He, Ar, Kr, and Xe)

Free electron laser-Fourier transform ion cyclotron resonance mass spectrometry facility for obtaining infrared multiphoton dissociation spectra of gaseous ions

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