The correlation between the ionic degree of covalent bond comprising polymer main chain and the ionic yield due to mechanical fracture |
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| Authors: | Masato Sakaguchi Masakazu Makino Takeshi Ohura Tadahisa Iwata |
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| Affiliation: | 1. Institute for Environmental Sciences, University of Shizuoka, 52 Yada, Suruga-ku, Shizuoka 422-8526, Japan;2. Faculty of Agriculture, Meijo University, 1-501, Shiogamaguchi, Tempaku-ku, Nagoya 468-8502, Japan;3. Department of Biomaterial Sciences, Graduate School of Agricultural and Life Sciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, Tokyo 133-8657, Japan |
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| Abstract: | The mechanical force to polymeric materials in vacuum at 77 K produces mechano radicals, mechano anions and mechano cations due to homogeneous and heterogeneous scissions of the covalent bonds comprising polymer main chain. The ionic degree of the covalent bond was estimated by calculating the “absolute ΔMulliken atomic charge,” which was defined as the difference between the Mulliken atomic charges of the two adjacent atoms comprising the covalent bond of the polymer main chain. The ionic yield of the covalent bond increased with increasing the absolute ΔMulliken atomic charge. The empirical formula for the ionic yield was obtained with the absolute ΔMulliken atomic charge, and indicates that the ionic yield could be estimated from its chemical structure. |
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| Keywords: | Mechano anion Mechano radical Ionic yield of covalent bond |
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