引用本文:
【打印本页】   【HTML】   【下载PDF全文】   View/Add Comment  【EndNote】   【RefMan】   【BibTex】
←前一篇|后一篇→ 过刊浏览    高级检索
本文已被:浏览 1804次   下载 2187 本文二维码信息
码上扫一扫!
分享到: 微信 更多
Photofragmentation of Isoleucine by Vacuum Ultraviolet Photoionization
Yang Xie,Lan-lan Cao,Qiang Zhang,Jun Chen,Gen-bai Chu,Yu-jie Zhao,Xiao-bin Shan,Fu-yi Liu*,Liu-si Sheng*
Author NameAffiliationE-mail
Yang Xie National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China  
Lan-lan Cao National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China  
Qiang Zhang National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China  
Jun Chen National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China  
Gen-bai Chu National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China  
Yu-jie Zhao National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China  
Xiao-bin Shan National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China  
Fu-yi Liu* National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China fyliu@ustc.edu.cn 
Liu-si Sheng* National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China lssheng@ustc.edu.cn 
Abstract:
Vacuum ultraviolet photon-induced ionization and dissociation of isoleucine are investi-gated with synchrotron radiation photoionization mass spectroscopy and theoretical cal-culations. The main fragment ions at m/z=86, 75, 74, 69, 57, 46, 45, 44, 41, 30, 28, and 18 from isoleucine are observed in the mass spectrum at the photon energy of 13 eV. From the photoionization e±ciency curves, appearance energies for the principal fragment ions C5H12N+ (m/z=86)、C2H5NO4+ (m/z=75)、C5H9+ (m/z=69)、C4H9+(m/z=57), and CH4N+(m/z=30) are determined to be 8.84±0.07, 9.25±0.06, 10.20±0.12, 9.25±0.10, and 11.05±0.07 eV, respectively, and possible formation pathways are established in detail by the calculations at the B3LYP/6-31++G(d, p) levels. These proposed channels include simple bond cleavage reactions as well as reactions involving intermediates and transition structures. The experimental and computational appearance energies or barriers are in good agreement.
Key words:  Synchrotron radiation, Vacuum ultraviolet, Photoionization mass spec-troscopy, Isoleucine, Dissociation pathway
FundProject:
异亮氨酸的真空紫外光电离和光离解
谢阳,曹兰兰,张强,陈军,储根柏,赵玉杰,单晓斌,刘付轶*,盛六四*
摘要:
利用同步辐射光电离质谱结合理论计算, 研究了异亮氨酸的真空紫外光诱导电离解离.在光子能量为13 eV的质谱中探测到了m/z=86、75、74、69、57、46、45、44、41、30、28、18的碎片离子.对于异亮氨酸的主要碎片离子为:C5H12N+ (m/z=86)、C2H5NO4+ (m/z=75)、C5H9+ (m/z=69)、C4H9+(m/z=57)和CH4N+(m/z=30).由光电离效率曲线得到出现势分别为:8.84±0.07、9.25±0.06、10.20±0.12、9.25±0.10、11.05±0.07 eV.结合量化理论计算(B3LYP/6-31++G(d,p)),详细给出了它们可能的生成路径.这些解离通道包括简单的键断裂反应和涉及中间体、过渡态的反应,实验值和理论计算的离子出现能或势垒一致.
关键词:  同步辐射,真空紫外,光电离质谱,异亮氨酸,解离通道
DOI:10.1088/1674-0068/25/04/379-388
分类号: