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Near threshold dynamics and dissociation energy of the reaction H2CO → HCO + H

✍ Scribed by Andrew C. Terentis; Scott H. Kable


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
447 KB
Volume
258
Category
Article
ISSN
0009-2614

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✦ Synopsis


The state-to-state dynamics of the gas phase reaction H2CO (v, J, K a, K c) +h~,~ H + HCO (v, N, S, K a, K c) have been explored in a supersonic free jet. Seven rotational states within the 2143 vibrational level of H2CO were excited and the population distribution of the HCO (v = 0, N, S, Ka, K c) product states measured. The distributions are constrained severely by the available energy in the reaction with the lowest H2CO state producing HCO in only three rotational states. Careful matching of the H2CO and HCO energy levels leads to an estimate of the dissociation energy of the above reaction of 30328.5 ___ 0.5 cm-], which leads us to an estimate of the standard heat of formation of the formyl radical of A H ° = 42.5 _ 0.5 kJ mol-~.


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Quantum-mechanical calculations of the c
✍ Kazuhiro Sakimoto; Kunizo Onda 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 553 KB

A quantum-mechanical study has been carried out for a collinear rearrangement reaction He+ Hz -+HeH + +H both on a diatomics-in-molecules semi-empirical surface and on a fitted ab initio surface. The calculation for the fitted ab initio surface has been carried out with a tine mesh in a broad range