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An ESR study on solvated electrons in water and alcohols: Difference in the g factor and related analysis of the electronic state by MO calculation
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62.The corresponding values are 0.510 nm with 43° and 0.707 nm with 31° in model with of 0.297 nm. The angles are larger than those for model because of the deviation of the dipole moment given by a fractional‐charge methanol (see Ref. 66).
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66.The fractional charges for a methanol were determined taking into account the calculated atomic charge. The resultant dipole moment deviates from the calculated moment by 12° towards the OC bond, while the latter itself is away from the experimental moment by 5° in the same direction.
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69.The 8% difference applies both to the calculated and the experimental dipole moments (see Sec. IV and Ref. 65).
70.When each molecule is represented by its dipole moment positioned at the respective oxygen nucleus, the electrostatic potential at the cavity center of model is calculated to be of that of model
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72.From the moment analysis of the optical absorption spectra Carmichael[J. Phys. Chem. 84, 1076 (1980)] has deduced that the radius of the solvated electron in methanol is smaller than that of the hydrated electron. This result is contradictory to the view presented herein, but the reason is not clear.
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