Deuterated hydrogen chemistry : partition functions , equilibrium constants and transition intensities for the H + 3 system
نویسنده
چکیده
H3 and the deuterated isotopomers are thought to play an important role in interstellar chemistry. The partition functions of H3 , D2H + and D3 are calculated to a temperature of 800 K by explicitly summing the ab initio determined rotation–vibration energy levels of the respective species. These partition functions are used to calculate the equilibrium constants for nine important reactions in the interstellar medium involving H3 and its deuterated isotopomers. These equilibrium constants are compared with previously determined experimental and theoretical values. The Einstein A coefficients for the strongest dipole transitions are also calculated.
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