Infrared Photodissociation Spectroscopy of C2n+1N− Anions with n = 1 – 5

Stanca-Kaposta, E. Cristina; Schwaneberg, Falko; Fagiani, Matias Ruben; Wende, Torsten; Hagemann, F.; Wünschmann, Annett; Wöste, L.; Asmis, Knut R.

doi:10.1515/zpch-2014-0507

Cited by 6 publications

(19 citation statements)

References 35 publications

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“…The scaled harmonic frequencies of the higher‐energy normal modes of C 2 n N − ⋅ D 2 anions are also listed in Table . Similarly to our previous study, only minor shifts were observed for the IR transitions in the CC and CN stretching region . Typically these were ≤1 cm −1 , except for the CN stretching mode in C 4 N − , which shifted by +3 cm −1 upon tagging to the N site.…”

Section: Resultssupporting

confidence: 86%

“…To evaluate the perturbation of the messenger tag on the IRPD band positions and intensities, we also performed computations on the most stable C 2 n N − ⋅ D 2 structures of the linear isomers in their 3 Σ − electronic ground states. Two low‐energy isomers were found for the D 2 ‐tagged anions with the messenger tag bound along the molecular axis either to the C or N terminus, of which the N‐site isomers are predicted to be 2–3 kJ mol −1 higher in energy for all three anions, similar to the previously investigated C 2 n −1 N − anions …”

Section: Resultssupporting

confidence: 79%

“…The IRPD spectrum of C 4 N − exhibits a single intense peak at 1966 cm −1 , labeled a in Figure . This highest‐energy band is considerably lower in energy than comparable features in the IRPD spectra of the C 2 n +1 N − anions . Whereas the typical C≡N triple bonds in acetylenic C 2 n +1 N − anions are found above 2170 cm −1 , this band is more characteristic of a cumulenic C=N (or C=C) double bond.…”

Section: Resultsmentioning

confidence: 70%

“…IRPD spectra measured with a smaller step‐size in this range are shown in Figure and band positions are listed in Table . The peak width (full width at half‐maximum) of the IRPD bands is significantly larger than the laser bandwidth, which is mainly attributed to unresolved rotational structure, as noted previously . It is largest for D 2 ‐tagged C 4 N − (12 cm −1 ) and is inversely proportional to the size of the anion.…”

Section: Resultsmentioning

confidence: 71%

“…Reactive sputtering of a graphite target with an argon/nitrogen mixture forms C n N − molecular anions, predominantly with an odd number of carbon atoms and one or more nitrogen atoms . Among the C 2 n N − anions, n= 3 is the most abundant; n= 4 and in particular n= 2 anions are formed in smaller yields, which is reflected in the signal/noise ratio of the corresponding IRPD spectra.…”

Section: Resultsmentioning

confidence: 99%

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Infrared Photodissociation Spectroscopy of C₄N⁻, C₆N⁻ and C₈N⁻

et al. 2016

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The gas-phase vibrational spectroscopy of cold C N (n=2-4) anions is investigated in the CC and CN multiple bond stretching region (1700-2250 cm ) by means of infrared photodissociation (IRPD) spectroscopy in a cryogenically cooled ion trap of the corresponding messenger-tagged complexes. The IRPD spectra are assigned to N-terminated linear structures with triplet ground states ( Σ ) based on a comparison with harmonic vibrational frequencies and intensities from density functional theory computations. In contrast to the polyacetylenic C N anions, the linear C-C chains investigated here exhibit cumulenic character, which is most pronounced in C N and decreases with chain length. Additional intense transitions are observed for C N above 3000 cm and are attributed to overtone and combination bands involving the CC stretching modes, based on anharmonic computations. The influence of a D tag on the vibrational features of C N anions is shown to be small.

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Section: Resultssupporting

confidence: 86%

Section: Resultssupporting

confidence: 79%

Section: Resultsmentioning

confidence: 70%

Section: Resultsmentioning

confidence: 71%

Section: Resultsmentioning

confidence: 99%

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Infrared Photodissociation Spectroscopy of C₄N⁻, C₆N⁻ and C₈N⁻

et al. 2016

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Vibrational Predissociation Spectra of C₂N⁻ and C₃N⁻: Bending and Stretching Vibrations

et al. 2023

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We present infrared predissociation spectra of C2N−(H2) and C 3N−(H2) in the 300–1850 cm−1 range. Measurements were performed using the FELion cryogenic ion trap end user station at the Free Electron Lasers for Infrared eXperiments (FELIX) laboratory. For C2N−(H2), we detected the CCN bending and CC−N stretching vibrations. For the C3N−(H2) system, we detected the CCN bending, the CC−CN stretching, and multiple overtones and/or combination bands. The assignment and interpretation of the presented experimental spectra is validated by calculations of anharmonic spectra within the vibrational configuration interaction (VCI) approach, based on potential energy surfaces calculated at explicitly correlated coupled cluster theory (CCSD(T)‐F12/cc‐pVTZ−F12). The H2 tag acts as an innocent spectator, not significantly affecting the C2,3N− bending and stretching mode positions. The recorded infrared predissociation spectra can thus be used as a proxy for the vibrational spectra of the bare anions.

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Infrared spectroscopic and theoretical study of the HC2n+1O+ (n = 2–5) cations

Jin

Wang

et al. 2017

The Journal of Chemical Physics

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The carbon chain cations, HCO (n = 2-5), are produced via pulsed laser vaporization of a graphite target in supersonic expansions containing carbon monoxide and hydrogen. The infrared spectra are measured via mass-selected infrared photodissociation spectroscopy of the CO "tagged" [HCO·CO] cation complexes in the 1600-3500 cm region. The geometries and electronic ground states of these cation complexes are determined by their infrared spectra compared to the predications of theoretical calculations. All of the HCO (n = 2-5) core cations are characterized to be linear carbon chain derivatives terminated by hydrogen and oxygen, which have the closed-shell singlet ground states with polyyne-like carbon chain structures.

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Infrared Photodissociation Spectroscopy of C_2n+1N⁻ Anions with n = 1 – 5

Cited by 6 publications

References 35 publications

Infrared Photodissociation Spectroscopy of C₄N⁻, C₆N⁻ and C₈N⁻

Infrared Photodissociation Spectroscopy of C₄N⁻, C₆N⁻ and C₈N⁻

Vibrational Predissociation Spectra of C₂N⁻ and C₃N⁻: Bending and Stretching Vibrations

Infrared spectroscopic and theoretical study of the HC2n+1O+ (n = 2–5) cations

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Infrared Photodissociation Spectroscopy of C2n+1N− Anions with n = 1 – 5

Cited by 6 publications

References 35 publications

Infrared Photodissociation Spectroscopy of C4N−, C6N− and C8N−

Infrared Photodissociation Spectroscopy of C4N−, C6N− and C8N−

Vibrational Predissociation Spectra of C2N− and C3N−: Bending and Stretching Vibrations

Infrared spectroscopic and theoretical study of the HC2n+1O+ (n = 2–5) cations

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Infrared Photodissociation Spectroscopy of C_2n+1N⁻ Anions with n = 1 – 5

Infrared Photodissociation Spectroscopy of C₄N⁻, C₆N⁻ and C₈N⁻

Infrared Photodissociation Spectroscopy of C₄N⁻, C₆N⁻ and C₈N⁻

Vibrational Predissociation Spectra of C₂N⁻ and C₃N⁻: Bending and Stretching Vibrations