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Relative acidities of water and methanol and the stabilities of the dimer anions

Journal Article · · J. Phys. Chem.; (United States)
DOI:https://doi.org/10.1021/j100283a019· OSTI ID:7203935
The difference between ..delta..H/sup 0//sub acid/ of H/sub 2/O and CH/sub 3/OH was directly measured to be 9.6 +/- 0.2 kcal/mol at 600 K by variable-temperature pulsed high-pressure mass spectrometry. This result defines ..delta..H/sup 0//sub acid/(CH/sub 3/OH) at 300 K as 381.6 +/- 0.7 kcal/mol and also confirms published values of EA(CH/sub 3/O) and ..delta..H/sup 0//sub D/(CH/sub 3/O-H). H/sub 2/O was also used a reference to measure ..delta..H/sup 0//sub acid/(C/sub 6/H/sub 6/) as 400.7 +/- 0.8 kcal/mol at 600 K. The dissociation energies of the hydrogen-bonded dimers OH/sup -/ H/sub 2/O (26.8 kcal/mol), CH/sub 3/O/sup -/ H/sub 2/O (23.9 kcal/mol), and CH/sub 3/O/sup -/ CH/sub 3/OH (28.8 kcal/mol) were also measured. The former two are found to be in very good agreement with published ab initio results.
Research Organization:
National Bureau of Standards, Gaithersburg, MD
OSTI ID:
7203935
Journal Information:
J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 90:25; ISSN JPCHA
Country of Publication:
United States
Language:
English