Theoretical study of methanol oxidation by RuⅣ-oxo complexes

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：boriszhou

【摘要】

：

【作者】

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Y.Shiota S.Takahashi T.Kojima K.Yoshizawa

【机构】

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Institute for materials Chemistry and Engineering,Kyushu University,Japan

【出处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

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The catalytic conversion of methanol to formaldehyde by three kinds of non-porphyrin Ru complexes.RuⅣO(TPA)(TPA = tris(2-pyridylmethyl)amine)(1a),RuⅣO(6-COO-TPA)(6-COO-TPA = 2-(6-carboxyl-pyridyl)methyl-bis(2-pyridylmethyl)amine)(1b),and RuⅣO(N4Py)(N4Py = N,N-bis(2-pyridyl-methyl)-N-bis(2-pyridyl)methylamine)(1c),is discussed by using density functional theory(DFT)calculations.

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Theoretical study of methanol oxidation by RuⅣ-oxo complexes

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