Determination of the ionization and dissociation energies of the hydrogen molecule

Liu, Jinjun; Salumbides, E. J.; Hollenstein, U.; Koelemeij, J.C.J.; Eikema, K.S.E.; Ubachs, Wim; Merkt, F.

doi:10.1063/1.3120443

Cited by 188 publications

(222 citation statements)

References 51 publications

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“…2 (b). 12 The notation nlN + N is used to label Rydberg states throughout this article (all quantum numbers have their usual meanings, see, e.g., Table I 2 , although higher rovibrationally excited states can also be used for an extrapolation of the ionisation energies. 13 Because the relative energies of the lowest rotational levels of both neutral and ionised species are known with high accuracy, E i and D 0 can be derived from measurements of Rydberg series converging to excited rotational levels.…”

Section: Latest Measurements Of the Ionisation Energies Of Molecumentioning

confidence: 99%

“…[12][13][14] The absolute transition frequencies were obtained by measuring the difference of the fundamental cw Ti:Sa laser frequency to the positions of selected iodine absorption lines which had themselves been calibrated using a frequency comb. The Doppler-limited linewidth in these experiments was $120 MHz and the intervals could be determined with uncertainties in the range 10-20 MHz.…”

Section: Latest Measurements Of the Ionisation Energies Of Molecumentioning

confidence: 99%

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Towards measuring the ionisation and dissociation energies of molecular hydrogen with sub-MHz accuracy

et al. 2011

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The most precise determination of the ionisation and dissociation energies of molecular hydrogen H 2 was carried out recently by measuring three intervals independently: the X / EF interval, the EF / n ¼ 54p interval, and the electron binding energy of the n ¼ 54p Rydberg state. The values of the ionisation and dissociation energies obtained for H 2 , and for HD and D 2 in similar measurements, are in agreement with the results of the latest ab initio calculations [Piszczatowski et al., J. Chem. Theory Comput., 2009, 5, 3039; Pachucki and Komasa, Phys. Chem. Chem. Phys., 2010, 12, 9188] within the combined uncertainty limit of 30 MHz (0.001 cm À1 ). We report on a new determination of the electron binding energies of H 2 Rydberg states with principal quantum numbers in the range n ¼ 51-64 with a precision of better than 100 kHz using a combination of millimetre-wave spectroscopy and multichannel quantumdefect theory (MQDT). The positions of 33 np (S ¼ 0) Rydberg states of ortho-H 2 relative to the position of the reference 51d (Rydberg state have been determined with a precision and accuracy of 50 kHz. By analysing these positions using MQDT, the electron binding energy of the reference state could be determined to be 42.3009108(14) cm À1 , which represents an improvement by a factor of $7 over the previous value obtained by Osterwalder et al. [J. Chem. Phys., 2004, 121, 11810]. Because the electron binding energy of the high-n Rydberg states will ultimately be the limiting factor in our method of determining the ionisation and dissociation energies of molecular hydrogen, this result opens up the possibility of carrying out a new determination of these quantities. By evaluating several schemes for the new measurement, the precision limit is estimated to be 50-100 kHz, approaching the fundamental limit for theoretical values of $10 kHz imposed by the current uncertainty of the proton-to-electron mass ratio.

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Section: Latest Measurements Of the Ionisation Energies Of Molecumentioning

confidence: 99%

Section: Latest Measurements Of the Ionisation Energies Of Molecumentioning

confidence: 99%

Towards measuring the ionisation and dissociation energies of molecular hydrogen with sub-MHz accuracy

et al. 2011

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“…The majority of the measurements are based on the dissociation energy of H 2 . The selected enthalpy of formation Δ f H o (298.15 K) for H atom is based on the H 2 photoionization measurements of Liu et al (2009) [20] and Zhang et al (2004) [22] who determined the dissociation energy to 0.0004 cm −1 and 0.01 cm −1 , respectively. These values translate to an uncertainty of on the order of less than 0.0001 kJ mol −1 in the enthalpy of formation of H atom (such a small uncertainty is not important from any practical chemical perspective).…”

Section: H Atommentioning

confidence: 99%

An Evaluation of Gas Phase Enthalpies of Formation for Hydrogen-Oxygen (HxOy) Species

Burgess¹

2016

J. RES. NATL. INST. STAN.

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We have compiled gas phase enthalpies of formation for nine hydrogen-oxygen species (HxOy) and selected recommended values for H, O, OH, H2O, HO2, H2O2, O3, HO3, and H2O3. The compilation consists of values derived from experimental measurements, quantum chemical calculations, and prior evaluations. This work updates the recommended values in the NIST-JANAF (1985) and Gurvich et al. (1989) thermochemical tables for seven species. For two species, HO3 and H2O3 (important in atmospheric chemistry) and not found in prior thermochemical evaluations, we also provide supplementary data consisting of molecular geometries, vibrational frequencies, and torsional potentials which can be used to compute thermochemical functions. For all species, we also provide supplementary data consisting of zero point energies, vibrational frequencies, and ion reaction energetics.

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“…The transition wave numbers between the selected rovibrational levels of the EF state and the Rydberg states were measured using a ͑2+1Ј͒ resonant three-photon excitation sequence followed by delayed pulsed-field ionization ͑PFI͒ of the Rydberg states as in our study of H 2 . 3 The binding energies of the Rydberg states were calculated by multichannel quantum defect theory ͑MQDT͒. The accuracy of the MQDT calculations for D 2 has been verified independently in a comparison with a high-resolution measurement of the nf Rydberg spectra of D 2 by millimeter-wave spectroscopy 6 and also with high-resolution laser spectra of the np Rydberg states ͑see below͒.…”

Section: Introductionmentioning

confidence: 99%

Determination of the ionization and dissociation energies of the deuterium molecule (D2)

Liu

Sprecher

Jungen

et al. 2010

The Journal of Chemical Physics

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The transition wave numbers from selected rovibrational levels of the EF 1 ⌺ g + ͑v =0͒ 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 ⌺ g + ͑v =0, N =0,1͒ states to thestates 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 07͑58͒ cm −1 and 124 715.003 77͑75͒ 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 86͑68͒ 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 36 748.3633͑9͒ cm −1 ͓K. Piszczatowski, G. Łach, M. Przybytek et al., J. Chem. Theory Comput. 5, 3039 ͑2009͔͒. 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 ⌺ g + ͑v =0͒ ground state, has been determined to be 59.781 30͑95͒ cm −1 .

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Determination of the ionization and dissociation energies of the hydrogen molecule

Cited by 188 publications

References 51 publications

Towards measuring the ionisation and dissociation energies of molecular hydrogen with sub-MHz accuracy

Towards measuring the ionisation and dissociation energies of molecular hydrogen with sub-MHz accuracy

An Evaluation of Gas Phase Enthalpies of Formation for Hydrogen-Oxygen (HxOy) Species

Determination of the ionization and dissociation energies of the deuterium molecule (D2)

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