Angenäherte, spektrographische Bestimmung der Hydratationsgleichgewichtskonstanten wässriger Formaldehydlösungen

Bieber, R.; Trümpler, G.

doi:10.1002/hlca.19470300659

Cited by 51 publications

(15 citation statements)

References 4 publications

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“…The obtain value is -5.7 kcat/ mol. This value is exactly the same as that obtained by Grfien and McTigue for concentrated solutions of 3.4~13.3 M. But it is rather small compared with the other values of -9.0kcal/mol [61] or -14.6 kcal/mol [60] obtained for diluted aqueous solutions [56]. Since the concentration of the present solution is 1.t M, the coincidence with the Grfien and McTigue's value is rather reasonable.…”

Section: Isolation Of Molecular Complexes By Collisionat Desolvation:supporting

confidence: 82%

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Aqueous molecular clusters isolated as liquid fragments by adiabatic expansion of liquid jets

Nishi

1990

Z Phys D - Atoms, Molecules and Clusters

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A new approach to solution chemistry and cluster physics has been developed by combining molecular beam mass-spectrometry with liquid jet expansion method. Many features characteristic of molecular association in aqueous solution were observed in the cluster mass spectra and some of them showed good agreement with reported values of euthalpy changes and entropy changes for molecular association-dissociation equilibria in liquid phase. Although it lacks persuadable theoretical analysis at this stage, several new findings obtained by this technique are introduced to appeal its potentialities of physical analysis of solution systems at molecular levels.

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Section: Isolation Of Molecular Complexes By Collisionat Desolvation:supporting

confidence: 82%

“…Although no conclusive result proving the coexistence of formaldehyde and methylenediol in formaldehyde aqueous solution has not been obtained by other methods [57,58] [60]. However, change of "apparent extinction coefficient" is rather probable for concentrated solutions.…”

Section: Isolation Of Molecular Complexes By Collisionat Desolvation:mentioning

confidence: 96%

Aqueous molecular clusters isolated as liquid fragments by adiabatic expansion of liquid jets

Nishi

1990

Z Phys D - Atoms, Molecules and Clusters

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“…As a consequence, this transition suffers a blue shift when formaldehyde is solvated in water. The amount of this blue shift is not well determined experimentally or theoretically, but it is believed to be larger than 2000 cm −1 3–5, with a very large broadening of about 4000 cm −1 4. This solvatochromic blue shift has been analyzed in several previous theoretical studies 5–12.…”

Section: Introductionmentioning

confidence: 95%

From hydrogen bond to bulk: Solvation analysis of then-?* transition of formaldehyde in water

Canuto

Coutinho

2000

Int. J. Quant. Chem.

102

125

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Supermolecular calculations that treat both the solute and the solvent quantum mechanically are performed to analyze the n-π * transition of formaldehyde in water. The liquid structures are generated by canonical (constant volume, temperature, and number of particles) (NVT) Metropolis Monte Carlo simulation. Autocorrelation function is calculated to obtain efficient ensemble average. Full quantum mechanical intermediate neglect of differential overlap/singly excited configuration interaction (INDO/CIS) calculations are then performed in the supermolecular clusters corresponding to the hydrogen bond shell and the first, second, and third solvation shells. The largest cluster, corresponding to the third solvation shell, includes 1 formaldehyde and 80 water molecules. INDO/CIS calculations are performed on a properly antisymmetric reference ground-state wave function involving all valence electrons. The results are then extrapolated to the bulk limit. The estimated limit value for the solvatochromic shift of the n-π * transition of formaldehyde in water, compared to gas phase, is 2200 cm −1 .

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“…Most of the literature data on the chemical equilibrium constant of the hydration of formaldehyde, K h , were obtained from the carbonyl speciÿc UV-absorption at approximately 290 nm (Bieber & Tr umpler, 1947;Iliceto, 1954;Landqvist, 1955;Gruen & McTigue, 1963;Siling & Akselrod, 1968;Schecker & Schulz, 1969;Zavitsas, Co ner, Wiseman, & Zavitsas, 1970). At this wavelength an electron from a nonbonding oxygen n-orbital is promoted to an anti-bonding * -orbital of the carbonyl double bond (e.g.…”

Section: Introductionmentioning

confidence: 99%

Kinetics and chemical equilibrium of the hydration of formaldehyde

Winkelman

Voorwinde

Ottens

et al. 2002

Chemical Engineering Science

125

145

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Take-down policy If you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim. AbstractThe reaction rate of the hydration of formaldehyde is obtained from the measured, chemically enhanced absorption rate of formaldehyde gas into water in a stirred cell with a plane gas-liquid interface, and mathematically modelling of the transfer processes. Experiments were performed at the conditions prevailing in industrial formaldehyde absorbers, i.e. at temperatures of 293-333 K and at pH values between 5 and 7. The observed rate constants could be correlated as k h = 2:04 × 105 × e −2936=T s −1 . Using the results, and the dehydration reaction rate constant, obtained previously at similar conditions, the chemical equilibrium constant for the hydration is obtained as K h =e 3769=T −5:494 .

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Angenäherte, spektrographische Bestimmung der Hydratationsgleichgewichtskonstanten wässriger Formaldehydlösungen

Cited by 51 publications

References 4 publications

Aqueous molecular clusters isolated as liquid fragments by adiabatic expansion of liquid jets

Aqueous molecular clusters isolated as liquid fragments by adiabatic expansion of liquid jets

From hydrogen bond to bulk: Solvation analysis of then-?* transition of formaldehyde in water

Kinetics and chemical equilibrium of the hydration of formaldehyde

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