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Deuterated hydrogen chemistry: Partition functions, Equilibrium constants and Transition intensities for the H3+ system

Jayesh Ramanlal·Jonathan Tennyson
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Abstract

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 to previously determined experimental and theoretical values. The Einstein A coefficients for the strongest dipole transitions are also calculated.

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Jayesh Ramanlal, Jonathan Tennyson. 2004-06-23. Deuterated hydrogen chemistry: Partition functions, Equilibrium constants and Transition intensities for the H3+ system. https://doi.org/10.1111/j.1365-2966.2004.08178.x

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