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

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.

References in corpus (5)

• Abundant H2D+ in the pre-stellar core L1544
• CO Depletion and Deuterium Fractionation in Prestellar Cores
• Detection of D2H+ in the Dense Interstellar Medium
• Detection of interstellar H_2D^+ emission
• Deuterium abundances

Cited by in corpus (12)

• The D/H ratio in the atmospheres of Uranus and Neptune from Herschel PACS observations
• Is H3+ cooling ever important in primordial gas?
• Deuterated H${}_3^{+}$ in proto-planetary disks
• Revealing H2D+ depletion and compact structure in starless and protostellar cores with ALMA
• Modelling line emission of deuterated H_3^+ from prestellar cores
• Extended emission of D2H+ in a prestellar core
• Detection of interstellar ortho-D2H+ with SOFIA
• The Initial Conditions of Clustered Star Formation III. The Deuterium Fractionation of the Ophiuchus B2 Core
• ExoMol line lists -- L: High-resolution line lists of H${}_3^{+}$, H${}_2$D${}^{+}$, D${}_2$H${}^{+}$ and D${}_3^{+}$
• Experimental and theoretical studies of D + H${}_3^{+}$ $\to$ H${}_2$D${}^{+}$ + H
• Upper limit for the D2H+ ortho-to-para ratio in the prestellar core 16293E (CHESS)
• Search for H${}_3^{+}$ isotopologues toward CRL 2136 IRS 1