Molecular Zeeman effect of 3-oxetanone and 3-methylene oxetane,and the comparison of the magnetic-susceptibility anisotropies,molecular quadrupole moments,and other magnetic parameters with other four-membered rings |
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Authors: | CL Norris HL Tigelaar WH Flygare |
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Institution: | Noyes Chemical Laboratory, University of Illinois, Urbana, Illinois 61801, USA |
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Abstract: | The molecular Zeeman effect is reported for 3-oxetanone and 3-methylene oxetane at fields near 20000 G. The results for 3-oxetanone are molecular g-values: gaa = ?0.1059 ± 0.0008, gbb = ?0.0581 ± 0.0004,gcc = ?0.0437 ± 0.0004, magnetic susceptibility anisotropies:2xaa -xbb - xcc = (9.6±0.5) x 10?6 erg/G2mole, 2xbb - xaa - xcc = ?(7.8±0.6) x 10?6 erg/G2mole, and molecular quadrupole moments: Qaa = ?(12.8±0.8) x 10?26 esu cm,Qbb = (7.9±0.8) x 10?26 esu cm, and Qcc = (4.9±0.8) x 10?26 esu cm. For 3-methylene oxetane, the results are gaa = ?0.0510 ± 0.0018, gbb = ?0.0435 ± 0.0010, gcc = ?0.0313 ± 0.0010, 2xaa - xbb - xcc = ?(10.9±0.5) x 10?6 erg/G2 mole, 2xbb - xaa - xcc = (2.3±0.9) x 10?6 erg/G2 mole, Qaa = -?5.4±1.0) x 10?26 esu cm, Qbb = (5.1 ± 1.2) x 10?26 esu cm, and Qcc = (0.2±1.5) x 10?26 esu cm. The bulk magnetic susceptibility for 3-oxetanone was measured to be x = 1/2 (xaa+xbb+xcc) = ?(30.6±1.5) x 10?6 erg/G2 mole. The out-of-plane minus average in-plane magnetic-susceptibility anisotropies in four-membered rings show larger paramagnetism than predicted on the basis of localized group susceptibility anisotropies. This effect is discussed and a possible explanation presented. |
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