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Ab initio potential energy surfaces for studying the quenching of CH(A 2Δ) by H2(X 1Σg+)

✍ Scribed by Alice Vegiri; Stavros C. Farantos

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
633 KB
Volume
167
Category
Article
ISSN
0009-2614

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✦ Synopsis

The mechanism of electronic quenching of the A 2A state of CH by ground-state H, is qualitatively investigated by calculating the appropriate potential energy surfaces. It is shown that the appearance of an early potential barrier of 0.15 eV and of a late barrier of 0.6 eV on the potential energy surface which governs the reaction, can explain the experimentally determined increase of the quenching rate constants with temperature.

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