2016
DOI: 10.1016/j.jct.2016.02.021
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Enthalpy of sublimation of hydroxyl-containing amino acids: Knudsen’s effusion mass spectrometric study

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Cited by 19 publications
(27 citation statements)
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“…The use of this method has been validated by comparison of lattice energy of L-threonine with the experimental value, by comparing the total energies of the compressed structures with those obtained by DFT calculations, and finally by comparing individual molecule-molecule energies at ambient pressure and 17.1 GPa with values obtained with symmetry adapted perturbation theory. The experimental enthalpy of sublimation of L-threonine is 161 kJ mol −1 at 298.15 K, 72 but once proton transfer between the ammonium and carboxylate groups during sublimation is taken into account, 73 the energy of sublimation of zwitterionic L-threonine is 270.7 ± 7 kJ mol −1 , which compares with the PIXEL value of 252.0 kJ mol −1 .…”
Section: Validation Of Computational Methodsmentioning
confidence: 81%
“…The use of this method has been validated by comparison of lattice energy of L-threonine with the experimental value, by comparing the total energies of the compressed structures with those obtained by DFT calculations, and finally by comparing individual molecule-molecule energies at ambient pressure and 17.1 GPa with values obtained with symmetry adapted perturbation theory. The experimental enthalpy of sublimation of L-threonine is 161 kJ mol −1 at 298.15 K, 72 but once proton transfer between the ammonium and carboxylate groups during sublimation is taken into account, 73 the energy of sublimation of zwitterionic L-threonine is 270.7 ± 7 kJ mol −1 , which compares with the PIXEL value of 252.0 kJ mol −1 .…”
Section: Validation Of Computational Methodsmentioning
confidence: 81%
“…The sublimation of H 2 TTDPz and NiTTDPz has been investigated by Knudsen method using the MI-1201 commercial magnetic sector mass spectrometer adapted to thermodynamic studies and described in detail in [ 43 , 44 ]. The solid samples were sublimated from a stainless steel effusion cell.…”
Section: Methodsmentioning
confidence: 99%
“…Accelerating voltage of 5 kV and the energy of ionizing electrons of 50 eV were applied during the experiments. The temperature of the of the effusion cell was measured by a tungstenrhenium thermocouple W-Re 5/20, calibrated against the melting point of Sn, and the slopes ln(IT) = f(1000/T) against the sublimation enthalpies of benzoic acid and Gly, as described earlier [ 17 ]. The power supplies (ionization and accelerating voltages, emission current, etc.)…”
Section: Knudsen Effusion Mass-spectrometrymentioning
confidence: 99%