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Articles you may be interested in Molecular vibrational energy flow and dilution factors in an anharmonic state space Sum and density of states for anharmonic polyatomic molecules. Effect of bend-stretch couplingRefinements have been made in the treatment of vibrational state sums. These modifications are particularly important at energies greater than the dissociation energies. It was not possible to extend the available analytical treatments of harmonic oscillators, and numerical sums were computed for several anharmonic examples and compared with previous work. Values of the empirical correction factor a were given and the previously derived approximate equations involving a extended to the anharmonic case.

The rate constant for the first-order decomposition of nitroethane was found to be represented by k = 1010'83e-39<700 ±207,sz' sec. -I over the temperature range 320-440°. The equation fits data obtained in both static and flow systems, and is consistent with the postulated activated complex having a ring structure. In the range 490-535°a special fast flow system was used and the rate constant given by k = 1017-56e-60'600,ñir _ sec.-1 The activation energy approximates the C-N bond strength at these temperatures and it appears that a non-chain branched mechanism with initial fission of the C-N bond can account for the results at high temperatures.

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