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from first principles PP-I-1

from first principles PP-I-1

from first principles PP-I-1

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OP-IV-520 ºC but its selectivity increased to 20% at 80 ºC. Glyceraldehyde (GLAD), which wasassumed as the key intermediate in GL oxidation over the gold catalysts in literature, has beennever detected in this work.In order to avoid water involvement, we also conducted the oxidation of GL in methanol. Thisnon-aqueous reaction (20−80 ºC, PO 2 = 1.0 Mpa, NaOH/GL= 2) always produced FA(45−75%) and GCA (20−30%) as the main products, making GLA a minor product (0−35%).These present data will be compared with those in literature for other gold catalysts tohighlight the feature of Au/ZrO 2 catalyst. Mechanistic issues involved in the oxidative GLactivation and competitiveness of the C−C breaking reactions in the oxidation of GL will alsobe addressed.References:[1] P. Claus, A. BrRcker, C. Mohr, H. Hofmeister, JACS 122 (2000) 11430.[2] X. Zhang, H. Shi, B.-Q. Xu, Catal. Today 122 (2007) 330, and J. Catal. 279 (2011) 75.[3] Y.-C. Hong, K.-Q. Sun, K.-H. Han, G. Liu, B.-Q. Xu, Catal. Today 158 (2010) 415.82

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