HEAT OF FORMATION OF CH2OH AND D0(H-CH2OH)

Citation
B. Ruscic et J. Berkowitz, HEAT OF FORMATION OF CH2OH AND D0(H-CH2OH), Journal of physical chemistry, 97(44), 1993, pp. 11451-11455
Citations number
27
Categorie Soggetti
Chemistry Physical
ISSN journal
00223654
Volume
97
Issue
44
Year of publication
1993
Pages
11451 - 11455
Database
ISI
SICI code
0022-3654(1993)97:44<11451:HOFOCA>2.0.ZU;2-M
Abstract
The appearance potential (AP) of CH2OH+ from CH3OH has been reexamined by photoionization mass spectrometry, using higher resolution, better statistics, and a more extensive analysis. The result, AP(CH2-OH+/CH3 OH) = 11.649 +/- 0.003 eV, when combined with IP(CH2OH) = 7.549 +/- 0. 006 eV, yields D0(H-CH2OH) = 395.6 +/- 0.6 kJ/mol. Other quantities wh ich can be derived from this value include D298, DELTAH(f)-degrees (CH 2OH) at 0 and 298 K and the proton affinity of CH2O. A prior thermoche mically deduced value for DELTAH(f)degrees 298 (CH2OH) is corrected, u tilizing a hindered rotor in calculating S-degrees298(CH2OH). The revi sed value, DELTAH(f)degrees 298 (CH2OH) = -12.2 +/- 1.7 kJ/mol, still differs from the present value, -16.6 +/- 0.9 kJ/mol, but a recent hig h-quality ab initio calculation is in good agreement with the present result.