Experimental and Theoretical Study on Pyrolysis of Isopsoralen
Experimental and Theoretical Study on Pyrolysis of Isopsoralen作者机构：National Synchrotron Radiation Laboratory University of Science and Technology of China Hefei230029 China Center of R&D China Tobacco Jiangxi Industrial Co. Ltd. Nanchang 330096 China
出 版 物：《Chinese Journal of Chemical Physics》 (化学物理学报（英文）)
年 卷 期：2012年第25卷第3期
页 面：249-253,373页
核心收录：
学科分类：1008[医学-中药学(可授医学、理学学位)] 081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 10[医学]
主 题：Isopsoralen Pyrolysis Synchrotron vacuum ultraviolet photoionization massspectrometry Density functional theory Transition state theory
摘 要：The pyrolysis of isopsoralen was studied by synchrotron vacuum ultraviolet photoionization mass spectrometry at low pressure. The pyrolysis products were detected at different photon energies, the ratios of products to precursor were measured at various pyrolysis temperatures. The experimental results demonstrate that the main pyrolysis products are primary CO and sequential CO elimination products （C10H602 and C9H60）. The decomposition channels of isopsoralen were also studied by the density functional theory, then rate constants for competing pathways were calculated by the transition state theory. The dominant decom- position channels of isopsoralen and the molecular structures for corresponding products were identified by combined experimental and theoretical studies.
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