摘要
利用同步辐射真空紫外光对1,2-二甲氧基乙烷进行光电离解离研究,得到了该分子的电离势为(9.33±0.04)eV,碎片离子CH_3OCH_2CH_3^+和CH_3OCH_2^+的出现势分别为(9.83±0.05)eV,(9.99±0.05)eV.根据实验结果和B3LXP/6-31+G(d)理论计算的结果,分析了可能的解离通道,并得到了离子生成焓、键解离能这些重要的热力学数据.
The vacuum ultraviolet photoionization and photodissociation of 1, 2-dimethoxyethane have been studied by using synchrotron radiation. The ionization potential of 1, 2-dimethoxyethane is determined to be (9.33 +/- 0.04) eV. The appearance potentials of the fragments CH3OCH2CH3+ and CH3OCH2+ are found at (9.83 +/- 0.05) and (9.99 +/- 0.05) eV, respectively. According to the experimental results and the energies calculated by B3LYP/6-31 + G (d) theory, the main possible channels of the photodissociation have been analyzed. The enthalpies of formation of the ions CH3OCH2CH2OCH3+, CH3OCH2CH3+ and CH3OCH2+, and the bond energies of D-0(CH3OCH2-CH2OCH3) and D-0(CH3OCH2-CH2OCH3) have been evaluated.
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
2003年第7期989-993,共5页
Acta Chimica Sinica
基金
国家自然科学基金(No.29803008)
