๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Determination of the barrier height to CH3CO dissociation

โœ Scribed by Simon North; David A. Blank; Yuan T. Lee


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
456 KB
Volume
224
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

โœฆ Synopsis


The photodissociation of acetyl chloride at 248 nm has been investigated by the technique of photofragment translational spectroscopy. A comparison of the translational energy distributions required to fit the chlorine atom and the acetyl radical indicates that a significant fraction ( = 35%) of the CH&O fragments undergo secondary decomposition to CHs and CO. From analysis of the center-of-mass translational energy distributions a value of 17 f 1 kcal/mol for the barrier height to acetyl radical dissociation has been determined.


๐Ÿ“œ SIMILAR VOLUMES


Density-functional based determination o
โœ Mark R. Pederson ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 662 KB

Due to the overbinding that is inherent in existing local approximations to the density-functional formalism, certain reaction energies have not been accessible. Since the generalized gradient approximation significantly decreases the overbinding, prospects for density-functional based reaction dyna