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- W2001072526 abstract "The high field molecular Zeeman effect of low-J rotational transitions has been observed in methyl nitrate. The spectrum is complicated by the presence of the small 14 N nuclear quadrupole coupling. Methyl top internal rotating splitting is negligible in the transitions studied here. From line shape analyses the individual satellite frequencies in the Zeeman-hfs-multiplets could be determined with experimental uncertainties typically smaller than ±2 kHz. The molecular Zeeman parameters and the 14 N nitrogen coupling constants were fitted simultaneously to the observed splittings. The molecular g-values are g aa = -0.1168(5), g bb = -0.0449(3), and g cc = -0.0235(4). The molecular magnetic susceptibility anisotropies in units of 10 -6 erg gauss -2 mol -1 are 2ξ aa -ξ bb -ξ cc = +1.24(54) and 2ξ bb - ξ cc - ξ aa = +13.14(53). The 14 N nuclear quadrupole coupling constants are χaa - + 0.308(17) MHz, χ bb - χ cc -0.262(31) MHz. The molecular electric quadrupole moments calculated from the observed rotational constants and Zeeman parameters in units of 10 -26 esu cm 2 are Q aa = +3.4(6), Q bb = -4.6(6), and Q cc = +1.2(10). Knowledge of the molecular structure and the molecular g-values also gives the diagonal elements in the paramagnetic susceptibility tensor and the ansiotropies in the second moments of the electronic charge distribution. The results in units of 10 -6 era gauss -2 mole -1 are ξ p aa = + 118.14(10), ξ p bb = +279.73(14), and ξ p cc = + 357.40(26), and ⟨a 2 ⟩ - ⟨b 2 ⟩ = + 37.14(14) Å 2 , ⟨b 2 ⟩ - ⟨c 2 ⟩ = +20.46(22) Å 2 , and ⟨c 2 ⟩ -⟨a 2 ⟩ = -57.60(21) Å 2" @default.
- W2001072526 created "2016-06-24" @default.
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- W2001072526 date "1989-11-01" @default.
- W2001072526 modified "2023-09-23" @default.
- W2001072526 title "Methyl Nitrate, its Molecular Values, Magnetic Susceptibility Anisotropies, Molecular Electric Quadrupole Moment, Second Moments of the Electronic Charge Distribution, and Electric Field Gradient at the Nitrogen Nucleus" @default.
- W2001072526 doi "https://doi.org/10.1515/zna-1989-1108" @default.
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