CrH and CrO molecules have been trapped in solid argon at 4 oK. Infrared spectra. when the large anharmonicity is accounted for. yield predicted gas phase vibrational parameters in the ground state w. = 1615 cm-I and w.x. = 17 em-I. ESR spectra clearly establish that the molecule has a 61: ground state with zero-field-splitting IDI = 0.34(1) cm-I in solid argon and approximate hyperfine coupling constants f4 (H)I = 49(5) MHz. f41e3Cr~ = 53(5) MHz. and gl"'" gil = g •. Several "extra lines" (otT-principalaxis absorptions) in the ESR support the assignment. CrH2 (and Cr0 2 • CrHO) was observed in the IR spectra and may also have been detected in the ESR. which tentatively suggest a S = 2 molecule with IDI"'" 0.02 em-I.
Weltner et al. Figure 4. Plot of nitrogen (open circles with estimated error bars, and scale on the right ordinate) and ortho proton (solid dots, and scale on the left ordinate) hyperfine coupling constants vs. Hammett + parameters for the triarylaminium cation radicals. The substituents represented by the vertical pairs of points and identified by the letters are
ESR spectra of the MnF and MnF2 molecules trapped in neon and argon matrices have been observed at 4°K. MnF was found to have a 7Σ ground state with the following magnetic parameters in solid neon (assuming g∥=2.002): g⊥=1.999(1), ‖D‖=−0.0107(1) cm−1, ‖A∥(Mn) ‖=490(5), ‖A⊥(Mn) ‖=418(1), ‖A⊥(F) ‖=60(1), and ‖A∥(F) ‖=85(2) MHz. MnF is then highly ionic with the spin density on each F− probably less than about 5%. The Mn+ ion exhibits about 60% of the s character of the free ion. MnF2 is linear with a 6Σg ground state with magnetic parameters in solid neon (assuming g∥=2.002): g⊥=1.994(5), ‖D‖=0.370(3) cm−1, ‖A∥(Mn) ‖=153(6), ‖A⊥(Mn) ‖=124(1), ‖A⊥(F) ‖=19(1) MHz. Comparison of these parameters is made with those obtained earlier from crystalline MnF2 and similar magnetic crystals.
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