Vibrational spectra of potassium hydrogen maleate crystal and solution

Avbelj, Franc; Orel, B.; Klanjšek, M.; Hadži, D.

doi:10.1016/0584-8539(85)80087-8

Cited by 35 publications

(12 citation statements)

References 10 publications

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“…The molecular symmetry in this situation is C 2v . The observation of a centred proton was supported by optical spectroscopy [110][111][112] and isotope effects in NMR measurements [113]. Neutron diffraction studies confirmed these findings [114], with the proton subsequently found to be centred at 300, 14 and 5 K [115].…”

Section: Apparent Invariance Of Short Intramolecular Hydrogen Bonds Tsupporting

confidence: 63%

The evolution of hydrogen atom parameters under changing external conditions by time-of-flight single crystal neutron diffraction

Wilson

2007

Crystallography Reviews

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Recent studies performed by our group, of hydrogen atom behaviour in hydrogen bonds as a function of external variable, are reviewed. The changes observed, often manifest in the form of proton disorder or apparent migration, open up the intriguing possibility of being able to alter the behaviour of hydrogen bonds. This work has only been made possible by developments in data collection methods that allow evolving molecular structures to be studied at unprecedented numbers of temperatures and pressures by neutron single crystal diffraction. It is shown that even more insight is possible by complementing such studies with imaging of hydrogen bonds using X-ray methods, together with using computational studies to try to shed additional light on the underlying potentials.

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Section: Apparent Invariance Of Short Intramolecular Hydrogen Bonds Tsupporting

confidence: 63%

The evolution of hydrogen atom parameters under changing external conditions by time-of-flight single crystal neutron diffraction

Wilson

2007

Crystallography Reviews

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“…That means that these two bands shift towards each other and are found in the range between 1300 and 1700 cm -1, where, additionally, a strong mixing occurs. This was dem onstrated, for instance, in normal coordi nate analyses of potassium hydrogen maleate [32][33][34] which contains such an intramolecular hydro gen bond. Inspection of Tables X and XI shows, indeed, that in 1 and 2 no strong bands around 1700 and 1250 c m '1 are present.…”

Section: Ir Spectramentioning

confidence: 99%

Hydrogen Bonding in Acid Li-, Ni-, Tetrabutylammonium, and Ammonium Salts of Benzene-1,2,4,5-tetracarboxylic Acid (Pyromellitic Acid)

Jessen

Küppers

Luehrs

1992

Zeitschrift Für Naturforschung B

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“…The prototypical intramolecular strong-symmetric hydrogen bond ͑SSHB͒ in the crystal of potassium hydrogen maleate, KH͑OOC u CH v CH u COO͒ or KHM, has been thoroughly investigated with x-ray or neutron diffraction, [25][26][27] infrared and Raman, [28][29][30][31] inelastic neutron scattering ͑INS͒, 27,32-34 NMR, 35,36 and calorimetry. 37 The linear hydrogen bond is very short ͓R OO = 2.427͑1͒ Å at 5 K͔ and crystallographically symmetrical.…”

Section: Introductionmentioning

confidence: 99%

A neutron scattering study of strong-symmetric hydrogen bonds in potassium and cesium hydrogen bistrifluoroacetates: Determination of the crystal structures and of the single-well potentials for protons

Cousson

Archilla

Tomkinson

2008

The Journal of Chemical Physics

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The crystal structures of potassium and cesium bistrifluoroacetates, KH͑CF 3 COO͒ 2 and CsH͑CF 3 COO͒ 2 , respectively, were determined at room and cryogenic temperatures with the single crystal neutron diffraction technique. The crystals belong to the monoclinic space groups, I2 / a and A2 / a, respectively, and there is no evidence of any structural phase transition. In both crystals, trifluoroacetate entities in centrosymmetric dimers are linked by very short hydrogen bonds lying across a center of inversion. The thermal parameters provide no evidence of any double minimum potential for hydrogen bond protons. Single-minimum potentials were determined via best fitting to the inelastic neutron scattering spectral profiles of the stretching vibrations. They comprise a narrow well for the ground state and a very broad quasiharmonic well for excited states. The spread out of the wave functions of these states shows that protons are no longer confined between the oxygens. Presumably, they are attracted by the lone pairs of oxygen atoms. These potentials emphasize the covalent nature of the OO bond and the ionic character of the hydrogen bond proton.

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Vibrational spectra of potassium hydrogen maleate crystal and solution

Cited by 35 publications

References 10 publications

The evolution of hydrogen atom parameters under changing external conditions by time-of-flight single crystal neutron diffraction

The evolution of hydrogen atom parameters under changing external conditions by time-of-flight single crystal neutron diffraction

Hydrogen Bonding in Acid Li-, Ni-, Tetrabutylammonium, and Ammonium Salts of Benzene-1,2,4,5-tetracarboxylic Acid (Pyromellitic Acid)

A neutron scattering study of strong-symmetric hydrogen bonds in potassium and cesium hydrogen bistrifluoroacetates: Determination of the crystal structures and of the single-well potentials for protons

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