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Issue 32, 2007
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Conformational study of 2-phenylethylamine by molecular-beam Fourier transform microwave spectroscopy

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Abstract

The conformational preferences of the simplest amine neurotransmitter 2-phenylethylamine have been investigated using molecular beam Fourier transform microwave (MB-FTMW) spectroscopy. Two new conformers have been observed together with the two previously reported by Godfrey et al. [J. Am. Chem. Soc., 1995, 117, 8204]. The 14N nuclear quadrupole hyperfine structure has been resolved for all four conformers. Comparison of the experimental rotational and quadrupole coupling constants with those calculated theoretically provides a conclusive test for the identification of all conformers. The two most stable conformers present a gauche (folded) disposition of the alkyl-amine chain and are stabilised by a weak NH⋯π interaction between the amino group and the aromatic ring. The other two conformers show an anti (extended) arrangement of the alkyl-amine chain. Tunnelling splittings have been observed in the spectrum of one of the anti conformers. The post expansion relative abundances in the supersonic jet have been also investigated and related to the conformer energies.

Graphical abstract: Conformational study of 2-phenylethylamine by molecular-beam Fourier transform microwave spectroscopy

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Publication details

The article was received on 13 Apr 2007, accepted on 05 Jun 2007 and first published on 28 Jun 2007


Article type: Paper
DOI: 10.1039/B705614A
Citation: Phys. Chem. Chem. Phys., 2007,9, 4521-4527

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    Conformational study of 2-phenylethylamine by molecular-beam Fourier transform microwave spectroscopy

    J. C. López, V. Cortijo, S. Blanco and J. L. Alonso, Phys. Chem. Chem. Phys., 2007, 9, 4521
    DOI: 10.1039/B705614A

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