摘要
利用同步辐射真空紫外光研究了氟里昂134 a(CH2FCF3)的光电离和光解离过程,通过测量各离子的光电离效率曲线,得到了该分子的电离能(12.68±0.04)eV和所有碎片离子的出现势,运用Gaussian-03计算了母体和中性碎片及相应离子的电子态、对称性和能量.结合理论计算结果对离子出现势的理论值和实验值进行了比较,分析了母体离子可能的光解离通道.
Photoionization and photodissociation of HFC-134a were studied by using synchrotron radiation and a reflectron time-of-flight mass spectrometry（RTOF-MS）. The ionization energy of parent molecule（ 12. 68 ± 0. 04） eV and appearance potentials of various fragment ions were determined by measuring their photoionization efficiency curves. Energies, symmetry point groups and ground electronic states of the neutrals and cations of parent and its fragments were calculated by Gaussian-03 program with the G3 method. According to the theoretical and experimental results, some dissociation channels and their dissociation energies of CH2FCF3^＋ were analyzed
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
2005年第12期2314-2318,共5页
Chemical Journal of Chinese Universities
基金
国家自然科学基金(批准号:20273064)
中国科学院知识创新项目资助
关键词
氟里昂134a
光电离
电离能
出现势
离解能
Freon HFC-134a
Photoionization
Ionization energy
Appearance potential
Dissociation energy
