Dissociation Dynamics of Energy Selected, Propane, and i-C3H7X+ Ions by iPEPICO: Accurate Heats of Formation of i-C3H7+, i-C3H7Cl, i-C3H7Br, and i-C3H7I

Autor:	Tomas Baer, William R. Stevens, Andras Bodi
Rok vydání:	2010
Předmět:	chemistry.chemical_classification chemistry.chemical_compound chemistry Bromide Iodide Analytical chemistry Physical and Theoretical Chemistry Bond-dissociation energy Dissociation (chemistry) Isopropyl iodide Isopropyl Standard enthalpy of formation Isopropyl chloride
Zdroj:	The Journal of Physical Chemistry A. 114:11285-11291
ISSN:	1520-5215 1089-5639
Popis:	The dissociation dynamics of energy selected i-C3H7X (X = H, Cl, Br, and I) ions have been investigated by imaging photoelectron−photoion coincidence (iPEPICO) spectroscopy using synchrotron radiation from the X04DB VUV beamline in the Swiss Light Source of the Paul Scherrer Institut. The 0 K dissociation energy (E0) for i-C3H8 was determined to be 11.624 ± 0.002 eV. This leads to a 298 K isopropyl ion heat of formation of 805.9 ± 0.5 kJ mol−1. The ΔfH298K°(i-C3H7+) combined with the measured 0 K onsets for i-C3H7+ formation from isopropyl chloride (11.065 ± 0.004 eV), isopropyl bromide (10.454 ± 0.008 eV), and isopropyl iodide (9.812 ± 0.008 eV) yields the 298 K isopropyl chloride, bromide, and iodide heats of formation of −145.7 ± 0.7, −95.6 ± 0.9, and −38.5 ± 0.9 kJ mol−1, respectively. These values provide a significant correction to literature values and reduce the error limits. Finally, the new i-C3H7+ heat of formation leads to a predicted adiabatic ionization energy for the isopropyl radical of 7....
Databáze:	OpenAIRE
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