CAS Key Laboratory of Low-Carbon Conversion Science and Engineering, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai, 201210, P. R. China.
University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.
ChemSusChem. 2017 Aug 10;10(15):3040-3043. doi: 10.1002/cssc.201700621. Epub 2017 Jul 20.
Glucose labeled with C or O was used to investigate the mechanism of its conversion into furfural by microwaveassisted pyrolysis. The isotopic content and location in furfural were determined from GC-MS and C NMR spectroscopic measurements and data analysis. The results suggest that the carbon skeleton in furfural is mainly derived from C1 to C5 of glucose, whereas the C of the aldehyde group and the O of the furan ring in furfural primarily originate from C1 and O5 of glucose, respectively. For the first time, the source of O in the furan ring of furfural was elucidated directly by experiment, providing results that are consistent with predictions from recent quantum chemical calculations. Moreover, further theoretical calculations indicate substantially lower energy barriers than previous predictions by considering the potential catalytic effect of formic acid, which is one of the pyrolysis products. The catalytic role of formic acid is further confirmed by experimental evidence.
使用标记有 C 或 O 的葡萄糖来研究其通过微波辅助热解转化为糠醛的机制。通过 GC-MS 和 C-NMR 光谱测量和数据分析确定糠醛中同位素的含量和位置。结果表明，糠醛的碳骨架主要来源于葡萄糖的 C1 到 C5，而糠醛中醛基的 C 和呋喃环的 O 分别主要来源于葡萄糖的 C1 和 O5。首次通过实验直接阐明了糠醛呋喃环中 O 的来源，实验结果与最近量子化学计算的预测结果一致。此外，进一步的理论计算表明，考虑到甲酸（一种热解产物）的潜在催化作用，其能量势垒显著低于之前的预测。通过实验证据进一步证实了甲酸的催化作用。
