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Issue 19, 2016
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Conformational distortion of α-phenylethyl amine in cryogenic matrices – a matrix isolation VCD study

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Abstract

The chiral amine α-phenylethyl amine (PEA) was isolated in cryogenic matrices and investigated using vibrational circular dichroism (VCD) and infrared spectroscopy. The potential energy surface (PES) of PEA features five different conformers connected by relatively low conformational transition states. Based on the IR spectra, it could be confirmed that all conformational energy barriers are passed at a deposition temperature of 20 K, and that only the global minimum conformation of PEA is populated in both argon and nitrogen matrices. However, differences in the calculated and experimental VCD spectra indicate deviations from the minimum structure by perturbation of the phenyl ring as well as of the amine orientation. The degree of the perturbation is found to also depend on the choice of the host gas, which shows the subtle influence of the environment on the conformational distortion of PEA.

Graphical abstract: Conformational distortion of α-phenylethyl amine in cryogenic matrices – a matrix isolation VCD study

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Publication details

The article was received on 23 Mar 2016, accepted on 14 Apr 2016 and first published on 14 Apr 2016


Article type: Paper
DOI: 10.1039/C6CP01946C
Phys. Chem. Chem. Phys., 2016,18, 13496-13502

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    Conformational distortion of α-phenylethyl amine in cryogenic matrices – a matrix isolation VCD study

    C. H. Pollok and C. Merten, Phys. Chem. Chem. Phys., 2016, 18, 13496
    DOI: 10.1039/C6CP01946C

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