Detection of the Hydronium Ion (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>) by High-Resolution Infrar

Begemann, Marianne H.; Gudeman, Christopher S.; Pfaff, J.; Saykally, Richard J.

doi:10.1103/physrevlett.51.554

Cited by 140 publications

(40 citation statements)

References 8 publications

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“…[44] Singly hydrated metal ions also exhibit these two bands, but the frequencies are red-shifted compared to those of isolated water. This effect has been observed in clusters of H 3 O + (3530 and 3514 cm À1 for u sym and u asym , respectively), [45] Li…”

mentioning

confidence: 81%

Hydration of the Calcium Dication: Direct Evidence for Second Shell Formation from Infrared Spectroscopy

2007

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Infrared laser action spectroscopy in a Fourier-transform ion cyclotron resonance mass spectrometer is used in conjunction with ab initio calculations to investigate doubly charged, hydrated clusters of calcium formed by electrospray ionization. Six water molecules coordinate directly to the calcium dication, whereas the seventh water molecule is incorporated into a second solvation shell. Spectral features indicate the presence of multiple structures of Ca(H2O)(7)2+ in which outer-shell water molecules accept either one (single acceptor) or two (double acceptor) hydrogen bonds from inner-shell water molecules. Double-acceptor water molecules are predominantly observed in the second solvent shells of clusters containing eight or nine water molecules. Increased hydration results in spectroscopic signatures consistent with additional second-shell water molecules, particularly the appearance of inner-shell water molecules that donate two hydrogen bonds (double donor) to the second solvent shell. This is the first reported use of infrared spectroscopy to investigate shell structure of a hydrated multiply charged cation in the gas phase and illustrates the effectiveness of this method to probe the structures of hydrated ions.

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confidence: 81%

Hydration of the Calcium Dication: Direct Evidence for Second Shell Formation from Infrared Spectroscopy

2007

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“…Although the observed vibration-inversion frequencies for the 2 , 3 , and 4 fundamental bands were used for determining the potential surface by Š pirko and Kraemer (33), their calculated vibration-inversion frequencies for the 1 fundamental band were far from observed. It is our hope that the new experimental information on the 1 (11). Because the 1 band appears in the same region as the 3 band and is about 10 times weaker than the 3 band, the identification of the 1 band was not straightforward, especially in view of the fact that 3 transitions involving higher J, K quantum states had not been assigned.…”

Section: Introductionmentioning

confidence: 97%

“…As a key molecular ion for the oxygen chemistry, the observed interstellar abundance of H 3 O ϩ has been used to estimate the interstellar abundance of O 2 and H 2 O which are very important but difficult to determine directly (23). These developments have provided nearly complete information on intramolecular dynamics of H 3 O ϩ except for the totally symmetric OH stretching 1 band. Apart from a strong and broad Raman band observed in solution and assigned to the 1 band by Giguère and Madec (25), there has previously been no report on this band.…”

Section: Introductionmentioning

confidence: 98%

Infrared Spectroscopy of H3O+: The ν1 Fundamental Band

Tang

Oka

1999

Journal of Molecular Spectroscopy

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“…The ν 3 infrared band of H 3 O + was first observed by Begemann et al (1983Begemann et al ( , 1985 using a colour center laser spectrometer combined with velocity modulation and the ν 2 band by Haese & Oka (1983) splitting due to inversion motion through the plane of the hydrogen atoms, it has only four submillimetre-wave transitions in the 300 GHz region. On the basis of the molecular constants determined by infrared studies, Plummer et al (1985) T. Furuya and S. Saito: Laboratory measurement of the J, K = 1, 0 Bogey et al (1985) measured the four inversion rotation transitions of H 3 O + in the laboratory.…”

Section: Introductionmentioning

confidence: 99%

Laboratory measurement of the J, K = $\mathsf{1,0^{-}{-}0,0^{+}}$ transition of ortho-D$\mathsf{{_3}}$O$\mathsf{^{+}}$

Furuya¹,

Saito²

2005

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The J, K = 1, 0 − − 0, 0 + transition of ortho-D 3 O + was measured by laboratory submillimetre-wave spectroscopy using a source-modulated spectrometer combined with a hollow-cathode free-space cell. The D 3 O + ion was generated by a dc glow discharge of D 2 O. A single line, which showed characteristic behaviour of a molecular ion, was observed at exactly the frequency predicted by the molecular constants previously determined by Araki et al. (1999, Mol. Phys., 97, 177). The measured line frequency was corrected for the ion-drift Doppler shift and determined to be 798 713.814 ± 0.077 MHz with one standard error of the measurements in parentheses. The lowest J, K transition of ortho-D 3 O + can be used as a probe to investigate the ortho to para ratio or the ortho and para to meta ratio of interstellar D 3 O + in highly depleted molecular cores.

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Detection of the Hydronium Ion (H3O+) by High-Resolution Infrar

Cited by 140 publications

References 8 publications

Hydration of the Calcium Dication: Direct Evidence for Second Shell Formation from Infrared Spectroscopy

Hydration of the Calcium Dication: Direct Evidence for Second Shell Formation from Infrared Spectroscopy

Infrared Spectroscopy of H3O+: The ν1 Fundamental Band

Laboratory measurement of the J, K = $\mathsf{1,0^{-}{-}0,0^{+}}$ transition of ortho-D$\mathsf{{_3}}$O$\mathsf{^{+}}$

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