Spin–spin coupling in the HD molecule determined from 1H and 2H NMR experiments in the gas-phase

Garbacz, Piotr

doi:10.1016/j.chemphys.2014.08.002

Cited by 11 publications

(9 citation statements)

References 35 publications

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“…The spin−spin coupling constant for each of the isotopologues was determined from the 1 H NMR and 3 H NMR spectra of the mixture of hydrogen isotopologues and carbon dioxide using the line shapes analysis described in ref 8.…”

Section: Resultsmentioning

confidence: 99%

“…10 An extended analysis is also mandatory for hydrogen isotopologues, since even for a well-separated multiplet this perturbation can reduce hydrogen deuteride triplet splitting observed in 1 H NMR spectrum by ≈ 1 Hz. 8 This effect varies greatly with the density of the sample and the gaseous solvent, e.g. for HD dissolved in CO 2 it is much smaller then for pure HD.…”

Section: Introductionmentioning

confidence: 99%

“…8 Therefore, it became of interest to compare also the results of state-of-art ab initio quantum mechanical computations with the results of the NMR measurements for the other two mixed hydrogen isotopologues: hydrogen and deuterium tritides. This comparison is not straightforward, since obtaining the experimental data of sufficient precision is a challenging task.…”

Section: Introductionmentioning

confidence: 99%

“…Our previous work 7 indicated that the discrepancy between the experimentally determined and computed indirect spin− spin coupling constant for HD, 1 J(D,H) ≈ 43 Hz, does not exceed 0.1 Hz; further investigation suggested that this difference is larger, 0.17 (5) Hz. 8 Therefore, it became of interest to compare also the results of state-of-the-art ab initio quantum mechanical computations with the results of NMR measurements for the other two mixed hydrogen isotopologues: HT and DT. This comparison is not straightforward because obtaining experimental data of sufficient precision is a challenging task.…”

Section: Introductionmentioning

confidence: 99%

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Indirect Spin–Spin Coupling Constants in the Hydrogen Isotopologues

et al. 2016

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The results of experimental and theoretical studies of indirect spin-spin coupling constants for hydrogen deuteride (HD), hydrogen tritide (HT), and deuterium tritide (DT) are described. The reduced coupling constants obtained from the gas-phase NMR (nuclear magnetic resonance) experiment conducted at 300 K are 2.338(1), 2.334(3), and 2.316(1) × 10(20) T(2) J(-1), while the ab initio values computed at the full configuration interaction level of theory equal 2.349(3), 2.343(3), and 2.322(3) × 10(20) T(2) J(-1) for HD, HT, and DT, respectively. The agreement of the experimental and theoretical results is improved when proper treatment of the influence of nuclear relaxation on the NMR spectrum is applied. However, there is a minor discrepancy between experiment and theory, exceeding the estimated error bars; potential sources of this discrepancy are discussed.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Indirect Spin–Spin Coupling Constants in the Hydrogen Isotopologues

et al. 2016

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“…16. Of interest in regard to the constraints derived from J-coupling in HD are more recent measurements and calculations (Garbacz, 2014;Neronov and Seregin, 2014).…”

Section: Experimental Searches For Monopole-dipole Interactions Have ...mentioning

confidence: 99%

Search for New Physics with Atoms and Molecules

Safronova,

Budker,

DeMille

et al. 2017

Preprint

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This article reviews recent developments in tests of fundamental physics using atoms and molecules, including the subjects of parity violation, searches for permanent electric dipole moments, tests of the CP T theorem and Lorentz symmetry, searches for spatiotemporal variation of fundamental constants, tests of quantum electrodynamics, tests of general relativity and the equivalence principle, searches for dark matter, dark energy and extra forces, and tests of the spin-statistics theorem. Key results are presented in the context of potential new physics and in the broader context of similar investigations in other fields. Ongoing and future experiments of the next decade are discussed.

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