Hyperfine Structure of HD17O by Beam‐Maser Spectroscopy

作者: J. Verhoeven , A. Dymanus , H. Bluyssen

DOI: 10.1063/1.1671557

关键词: Kinetic isotope effectRotational transitionHyperfine structureCoupling constantAnalytical chemistryQuadrupoleAb initio quantum chemistry methodsNuclear magnetic resonanceChemistrySpectroscopyMaser

摘要: Hyperfine structure of the 22→21 rotational transition HD17O at 10.374 GHz has been investigated with a beam‐maser spectrometer. The best‐fit results for spin–rotation coupling constants CJτ(K) and components χij(K) quadrupole tensors in their principal coordinate systems are kHz: C22(H) = − 42.20 ± 0.20; C21(H) = − 42.98 ± 0.20; C22(D) = − 2.04 ± 0.02; C21(D) = − 2.0000 ± 0.0015; C22(O) = − 22.5 ± 0.3; C21(O) = − 22.35 ± 0.20; χxx(O) = 10 175 ± 67; χyy(O) = − 8 891 ± 21; χzz(O) = − 1283 ± 87; χx′x′(D) = 307.90 ± 0.14; χz′z′(D) = − 133.13 ± 0.14; χy′y′(D) = − 174.78 ± 0.29; η(O) = (χzz(O) − χyy(O)) / χxx(O) = 0.75 ± 0.01. These show good agreement recent ab initio calculations remove discrepancy experimental Stevenson Townes (η(O) = 1.83 ± 0.20).

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