1996
DOI: 10.1021/jp9609141
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Experimental Determination of the Enthalpies of Formation of Formyl Cyanide and Thioformyl Cyanide in the Gas Phase

Abstract: The enthalpies of formation of formyl cyanide (HC(O)CN) and thioformyl cyanide (HC(S)CN) in the gas phase have been determined with the use of Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. The enthalpy of formation, ∆H f°( 298 K), of formyl cyanide is determined to be 26 ( 20 kJ mol -1 , whereas the value for thioformyl cyanide is 222 ( 30 kJ mol -1 . These enthalpies of formation are derived from experimental values of (i) the gas-phase acidities of the methylene groups in the CH 3 OCH… Show more

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Cited by 22 publications
(14 citation statements)
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“…The comparisons of the PA values at B3LYP/6-311++G**//B3LYP/6-31+G*, MP2/6-31++G**// MP2/6-31+G* with G2MP2 values and there experimental results indicate that DFT method are more appropriate. The available experimental values are also included in Table 1 [25,[36][37][38].…”
Section: Proton Affinitymentioning
confidence: 99%
“…The comparisons of the PA values at B3LYP/6-311++G**//B3LYP/6-31+G*, MP2/6-31++G**// MP2/6-31+G* with G2MP2 values and there experimental results indicate that DFT method are more appropriate. The available experimental values are also included in Table 1 [25,[36][37][38].…”
Section: Proton Affinitymentioning
confidence: 99%
“…A Fourier Transform Ion Cyclotron Resonance Bruker Daltonics Apex II instrument was used to determine the experimental proton affinities as described previously [31]. The total pressure in the instrument was in most experiments (1-3) × 10 −6 Pa as measured with an ionization gauge placed in a side arm of the main vacuum system.…”
Section: Ft-icr Studiesmentioning
confidence: 99%
“…( 5) if the temperature of the reactant chemical system in the FT-ICR instrument is assumed to be 298 K (Table 2). 37,43 The change in Gibbs energy for the equilibrium reaction (eqn. ( 4)) is according to the definition of the gas-phase basicity GB (ÀD r G o (298 K) for the reaction in eqn.…”
Section: Experimental Determination Of the Proton Affinitiesmentioning
confidence: 99%