| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2019: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2018: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2017: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
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| Outline of Final Research Achievements |
We studied the origin of piezo-response of molecules and the effect of high pressure for molecular spectroscopies using our original method XP PCM (extreme pressure polarizable continuum model). We elucidate the mechanism of the electric (piezoelectric effects) and photochemical (piezochromic effects) response of molecules for the external pressure. We found that the pressure-effect and piezo-response contain various origins of their mechanism. The representative origins are the reaction volume, strain in the molecular geometry, and the increase of the dielectric constant due to the concentration of environmental molecules.
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