On-line monitoring of the hydrolysis of acetonitrile in near-critical water using Raman spectroscopy

Venardou, Eleni; García‐Verdugo, Eduardo; Barlow, Stephen; Gorbaty, Yuri E.; Poliakoff, Martyn

doi:10.1016/j.vibspec.2003.12.003

Cited by 39 publications

(18 citation statements)

References 47 publications

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“…The energy barrier was 48.67 kcal/mol at DFT, 48.65 kcal/mol at MP2 and 67.34 kcal/mol at HF. The final product of this process was structure SP7, composed of acetic acid and NH 3 .…”

Section: Noncatalyzed Hydrolysis Of Acetonitrilementioning

confidence: 99%

See 1 more Smart Citation

Mechanism of TBD-catalyzed hydrolysis of acetonitrile

Ma¹,

Zhang²,

Zhao³

et al. 2009

Journal of Molecular Structure: THEOCHEM

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“…The energy barrier was 48.67 kcal/mol at DFT, 48.65 kcal/mol at MP2 and 67.34 kcal/mol at HF. The final product of this process was structure SP7, composed of acetic acid and NH 3 .…”

Section: Noncatalyzed Hydrolysis Of Acetonitrilementioning

confidence: 99%

“…The hydrolysis of nitriles is an important route for synthesizing carboxylic acids which are widely applied in laboratories and industries [1][2][3][4]. This reaction is known to proceed in two consecutive steps, partial nitrile hydrolysis produces an amide, further then amide hydrolysis produces a carboxylic acid and NH 3 .…”

Section: Introductionmentioning

confidence: 99%

Mechanism of TBD-catalyzed hydrolysis of acetonitrile

Ma¹,

Zhang²,

Zhao³

et al. 2009

Journal of Molecular Structure: THEOCHEM

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“…Second, acetonitrile has been reported to hydrolyze to HA in the presence of water, strong acids (or bases) and at elevated temperatures. However, the conditions needed are too harsh for solvent-hydrolysis to play a major role in the present experiment [38]. Third, the second acetylation of ASA to the mixed-anhydride ASAA (the reaction in the second row in Figure 5) is somewhat surprising.…”

Section: Synthesis Of Acetylsalicylic Acidmentioning

confidence: 82%

Hard‐modeling of reaction kinetics by combining online spectroscopy and calorimetry

Imlinger¹,

Blattner²,

Krell³

et al. 2008

Journal of Chemometrics

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This paper presents a method for combining spectroscopic and calorimetric data for kinetic parameter estimation. The target testing (TT) procedure for spectroscopic data is used together with a recently published least squares approach where the reaction power is fitted solely based on kinetic parameters. We propose to autoscale (i.e. to column-wise mean center and divide by the column standard deviation) data and estimates and to combine the 'autoscaled' cost functions with appropriate weights. The weights are determined from the data. Simulations demonstrate how the calorimetric data also constrain the kinetic fit, and we apply the method to resolve the reaction kinetics of the synthesis of acetylsalicylic acid (ASA).

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“…There is a considerable amount of literature on the hydrolysis of amide in HTW, but concentrating on aliphatic and aromatic amides [8,[12][13][14][15][16][17][18][19][20][21][22][23]. The hydrolysis of heterocyclic amides in HTW is rarely reported.…”

Section: Introductionmentioning

confidence: 99%