Literature DB >> 20423175

Determination of the ionization and dissociation energies of the deuterium molecule (D(2)).

Jinjun Liu1, Daniel Sprecher, Christian Jungen, Wim Ubachs, Frédéric Merkt.   

Abstract

The transition wave numbers from selected rovibrational levels of the EF (1)Sigma(g) (+)(v=0) state to selected np Rydberg states of ortho- and para-D(2) located below the adiabatic ionization threshold have been measured at a precision better than 10(-3) cm(-1). Adding these wave numbers to the previously determined transition wave numbers from the X (1)Sigma(g) (+)(v=0, N=0,1) states to the EF (1)Sigma(g) (+)(v=0, N=0,1) states of D(2) and to the binding energies of the Rydberg states calculated by multichannel quantum defect theory, the ionization energies of ortho- and para-D(2) are determined to be 124 745.394 07(58) cm(-1) and 124 715.003 77(75) cm(-1), respectively. After re-evaluation of the dissociation energy of D(2) (+) and using the known ionization energy of D, the dissociation energy of D(2) is determined to be 36 748.362 86(68) cm(-1). This result is more precise than previous experimental results by more than one order of magnitude and is in excellent agreement with the most recent theoretical value 36 748.3633(9) cm(-1) [K. Piszczatowski, G. Łach, M. Przybytek et al., J. Chem. Theory Comput. 5, 3039 (2009)]. The ortho-para separation of D(2), i.e., the energy difference between the N=0 and N=1 rotational levels of the X (1)Sigma(g) (+)(v=0) ground state, has been determined to be 59.781 30(95) cm(-1).

Entities:  

Mesh:

Substances:

Year:  2010        PMID: 20423175     DOI: 10.1063/1.3374426

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Reactions of H2, HD, and D2 with H2+, HD+, and D2+: Product-Channel Branching Ratios and Simple Models.

Authors:  Frédéric Merkt; Katharina Höveler; Johannes Deiglmayr
Journal:  J Phys Chem Lett       Date:  2022-01-19       Impact factor: 6.475

  1 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.