Gas phase reactions of uranyl with α-hydroxyisobutyric acid using electrospray ionization mass spectrometry and density functional theory

被引：0
作者：
Pranaw Kumar
P. G. Jaison
V. M. Telmore
D. Alamelu
S. K. Aggarwal
Biswajit Sadhu
Mahesh Sundararajan
机构：
[1] Bhabha Atomic Research Centre,Fuel Chemistry Division
[2] Bhabha Atomic Research Centre,Radiation Safety Systems Division
[3] Bhabha Atomic Research Centre,Theoretical Chemistry Section
来源：
Journal of Radioanalytical and Nuclear Chemistry | 2016年 / 308卷
关键词：
Uranyl; HIBA; ESI-MS; DFT;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Electrospray ionization mass spectrometry (ESI-MS) technique was used to find out the type of species of uranyl with α-hydroxyisobutyric acid in positive and negative ion modes. It was found that the singly charged monomeric and doubly charged dimeric species were present in soft ionization conditions. The molecular level understanding on the structures and energetics were investigated using density functional theory based calculations. It was found that ML3, the most intense species observed in ESI-MS were energetically more favorable as compared to ML1 and ML2.
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页码：303 / 310
页数：7
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