| Budget Amount *help |
¥17,550,000 (Direct Cost: ¥13,500,000、Indirect Cost: ¥4,050,000)
Fiscal Year 2020: ¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2019: ¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2018: ¥9,230,000 (Direct Cost: ¥7,100,000、Indirect Cost: ¥2,130,000)
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| Outline of Final Research Achievements |
The hemibond is a nonclassical covalent bond, in which three electrons are shared by two centers (atoms). Roles of the hemibond in radiation chemistry and biochemistry have attracted much interest. In the present study, microsolvation effects on the hemibond between hydrogen sulfide were investigated by infrared spectroscopy of model clusters in the gas phase. It was shown that the hemibond is stable to microsolvation by a single water molecules, but solvation by a single alcohol molecule easily breaks the hemibond. In addition, a new type of hemibond was found between hydrogen sulfide and pi electrons of benzene. This hemibond is a good benchmark to test the validity of density functionals to simulate hemibonds.
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