Article ID Journal Published Year Pages File Type
5383415 Chemical Physics Letters 2012 5 Pages PDF
Abstract
► Six conformers of 2-amino-1-phenylethanol are optimized at B3LYP/6-311++G∗∗ level. ► Ionization potentials of 2-amino-1-phenylethanol are calculated. ► The structures of stable cation and corresponding neutral state are analyzed. ► The unstable cations dissociate into C7H6OH free radicals and CH2NH2+ cationic states.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical determinations of ionization potentials of 2-amino-1-phenylethanol
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