| Project/Area Number |
16H06595
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| Research Category |
Grant-in-Aid for Research Activity Start-up
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| Allocation Type | Single-year Grants |
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| Research Field |
Catalyst/Resource chemical process
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| Research Institution | Hokkaido University |
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Principal Investigator |
Toyao Takashi 北海道大学, 触媒科学研究所, 助教 (80775388)
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| Project Period (FY) |
2016-08-26 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Fiscal Year 2017: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2016: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
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| Keywords | レニウム / 酸化チタン / 不均一系触媒 / 水素化 / カルボン酸 / DFT計算 / 機械学習 / 触媒インフォマティクス / マシーンラーニング |
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| Outline of Final Research Achievements |
We have found that a catalyst (Re / TiO2) supporting Re on TiO2 is effective for alcohol synthesis by selective hydrogenation of a carboxylic acid compound having an aromatic ring. The point of realizing the selective hydrogenation of a carboxylic acid compound having an aromatic ring, which has been regarded as difficult by using a heterogeneous catalyst, is a remarkable point of this research. In situ measurements of various spectroscopy methods, in particular FT-IR, Raman, XPS and XAFS, were conducted to examine the state of Re in detail. DFT calculation revealed that Re strongly interacted with -COOH group and weak interaction with benzene. We concluded that this difference in interaction contributes to the high selectivity of Re catalyst in this reaction.
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