Unimolecular dissociation and thermochemistry of CH3OOH |
| |
Authors: | Matthews Jamie Sinha Amitabha Francisco Joseph S |
| |
Institution: | Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 93093-0314, USA. |
| |
Abstract: | The unimolecular dissociation of CH3OOH is investigated by exciting the molecule in the region of its 5nu(OH) band and probing the resulting OH fragments using laser-induced fluorescence. The measured OH fragment rotational and translational energies are used to determine the CH3O-OH bond dissociation energy, which we estimate to be approximately 42.6+/-1 kcal/mol. Combining this value with the known heats of formation of the fragments also gives an estimate for the heat of formation of CH3OOH which at 0 K we determine to be deltaH(f)0=-27+/-1 kcal/mol. This experimental value is in good agreement with the results of ab initio calculations carried out at the CCSD(T)/complete basis set limit which finds the heat of formation of CH3OOH at 0 K to be deltaH(f)0=-27.3 kcal/mol. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|