Stretching frequency versus bond distance correlation of OD(H)⋯Y (Y  N, O, S, Se, Cl, Br, I) hydrogen bonds in solid hydrates

Mikenda, W.

doi:10.1016/0022-2860(86)87054-5

Cited by 340 publications

(130 citation statements)

References 19 publications

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“…[7][8][9][10][11][12][13][14][15][16][17][18][19][20] This is since the hydroxyl stretch has been directly associated with hydrogen bonding strength and thus providing a means to observe the bond strength between the ion and water. [21][22][23] Therefore, it is a suitable "sensor" for any rearrangement within the ion's solvation shell.…”

Section: Introductionmentioning

confidence: 99%

Azide–water intermolecular coupling measured by two-color two-dimensional infrared spectroscopy

Borek

Perakis

Kläsi

et al. 2012

The Journal of Chemical Physics

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We utilize two-color two-dimensional infrared spectroscopy to measure the intermolecular coupling between azide ions and their surrounding water molecules in order to gain information about the nature of hydrogen bonding of water to ions. Our findings indicate that the main spectral contribution to the intermolecular cross-peak comes from population transfer between the asymmetric stretch vibration of azide and the OD-stretch vibration of D2O. The azide-bound D2O bleach/stimulated emission signal, which is spectrally much narrower than its linear absorption spectrum, shows that the experiment is selective to solvation shell water molecules for population times up to 500 fs. The waters around the ion are present in an electrostatically better defined environment. Afterwards, 1 ps, the sample thermalizes and selectivity is lost. On the other hand, the excited state absorption signal of the azide-bound D2O is much broader. The asymmetry in spectral width between bleach/stimulated emission versus excited absorption has been observed in very much the same way for isotope-diluted ice Ih, where it has been attributed to the anharmonicity of the OD potential. Azide-water intermolecular coupling measured by two-color two-dimensional infrared spectroscopy We utilize two-color two-dimensional infrared spectroscopy to measure the intermolecular coupling between azide ions and their surrounding water molecules in order to gain information about the nature of hydrogen bonding of water to ions. Our findings indicate that the main spectral contribution to the intermolecular cross-peak comes from population transfer between the asymmetric stretch vibration of azide and the OD-stretch vibration of D 2 O. The azide-bound D 2 O bleach/stimulated emission signal, which is spectrally much narrower than its linear absorption spectrum, shows that the experiment is selective to solvation shell water molecules for population times up to ∼500 fs. The waters around the ion are present in an electrostatically better defined environment. Afterwards, ∼1 ps, the sample thermalizes and selectivity is lost. On the other hand, the excited state absorption signal of the azide-bound D 2 O is much broader. The asymmetry in spectral width between bleach/stimulated emission versus excited absorption has been observed in very much the same way for isotope-diluted ice Ih, where it has been attributed to the anharmonicity of the OD potential.

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Section: Introductionmentioning

confidence: 99%

Azide–water intermolecular coupling measured by two-color two-dimensional infrared spectroscopy

Borek

Perakis

Kläsi

et al. 2012

The Journal of Chemical Physics

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“…The Raman spectrum of cobaltomenite in the 2700 to 3700 cm -1 region is shown in Fig. 4 [41][42][43][44] . Libowitzky showed that a regression function can be employed, relating the hydroxyl stretching frequencies with regression coefficients better than 0.96 using infrared spectroscopy 45 The spectroscopy of selenites is interesting in that, like many mineral arsenates, the symmetric stretching mode is observed at higher wavenumbers than the antisymmetric stretching mode 38 .…”

Section: Resultsmentioning

confidence: 99%

Raman spectroscopic study of the selenite minerals—chalcomenite CuSeO₃·2H₂O, clinochalcomenite and cobaltomenite

Frost

Keeffe

2008

J Raman Spectroscopy

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Raman spectroscopy has been used to study the dimorphous selenite minerals chalcomenite, cobaltomenite and clinochalcomenite. Selenite minerals are characterised by the position of the symmetric stretching mode which is observed at higher wavenumbers than the antisymmetric stretching mode. The selenite ion has C 3v symmetry and four modes, 2A 1 and 2E. These modes are observed at 813, 472 cm -1 (A 1 ) and 685, 710, 727 and 367 and 396 cm -1 (E). Bands assigned to the water stretching vibrations are observed for chalcomenite at 2953, 3184 and 3506 cm -1 and for clinochalcomenite at 2909, 3193 and 3507 cm -1 . A comparison of the Raman spectra of chalcomenite, clinochalcomenite and cobaltomenite is made. The position of these bands enabled hydrogen bond distances in the selenite structure to be estimated. Hydrogen bond distances for chalcomenite and clinochalmenite were determined to be similar.

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“…49,50 Also, Nienhuys et al carried out a similar experiment for HDO : D 2 O solution. 51 Noting that the OH stretching mode frequency is sensitively dependent on the H-bond length, as found by Mikenda, 52 they were able to measure solvatochromic shift revealing real time dynamics of the H-bonds in liquid water. Recently, Woutersen et al used an IR pumpprobe method to measure the H-bond lifetime in NMAmethanol solution.…”

Section: Introductionmentioning

confidence: 80%

Interplay of the Intramolecular Water Vibrations and Hydrogen Bond in N-Methylacetamide-Water Complexes: Ab Initio Calculation Studies

2003

Bulletin of the Korean Chemical Society

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The correlation between the water and N-methylacetamide (NMA) intramolecular vibrational frequencies and the hydrogen-bond length in a variety of NMA-H 2 O and NMA-D 2 O complexes was investigated by carrying out ab initio calculations. As the hydrogen-bond length decreases, the frequencies of bending and stretching modes of the hydrogen-bonding water increases and decreases, respectively, and the amide I and II (III) mode frequencies of the NMA decreases and increases, respectively. In this paper, correlation maps among the amide (I, II, and III) modes of NMA and three intramolecular water modes are thus established, which in turn can be used as guidelines for interpreting two-dimensional vibrational spectra of aqueous NMA solutions.

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Stretching frequency versus bond distance correlation of OD(H)⋯Y (Y  N, O, S, Se, Cl, Br, I) hydrogen bonds in solid hydrates

Cited by 340 publications

References 19 publications

Azide–water intermolecular coupling measured by two-color two-dimensional infrared spectroscopy

Azide–water intermolecular coupling measured by two-color two-dimensional infrared spectroscopy

Raman spectroscopic study of the selenite minerals—chalcomenite CuSeO₃·2H₂O, clinochalcomenite and cobaltomenite

Interplay of the Intramolecular Water Vibrations and Hydrogen Bond in N-Methylacetamide-Water Complexes: Ab Initio Calculation Studies

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Stretching frequency versus bond distance correlation of OD(H)⋯Y (Y  N, O, S, Se, Cl, Br, I) hydrogen bonds in solid hydrates

Cited by 340 publications

References 19 publications

Azide–water intermolecular coupling measured by two-color two-dimensional infrared spectroscopy

Azide–water intermolecular coupling measured by two-color two-dimensional infrared spectroscopy

Raman spectroscopic study of the selenite minerals—chalcomenite CuSeO3·2H2O, clinochalcomenite and cobaltomenite

Interplay of the Intramolecular Water Vibrations and Hydrogen Bond in N-Methylacetamide-Water Complexes: Ab Initio Calculation Studies

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Raman spectroscopic study of the selenite minerals—chalcomenite CuSeO₃·2H₂O, clinochalcomenite and cobaltomenite