关键词: 酯, 反应机理, 二氧化碳, 量子化学, 烯酮, 热分解反应, 江西省自然科学基金, 酰氧基甲酸酯, 烷氧基甲酸

AM1 method was used to study the thermolysis of RCO2CO2R1 (R = Me, Ph, 2-, 3-, 4-cyanophenyl, 4-O2NC6H4; R1 = Me, Et, CH2NO2). The results obtained by the calcns. show that alkyl acyloxyformates were thermally decomposed into the ethers and carbon dioxide. Reaction mechanism was discussed.

Key words: ESTERS, REACTION MECHANISM, CARBON DIOXIDE, QUANTUM CHEMISTRY, KETENE, REACTION KINETICS FOR THE DECOMPOSITION