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Issue 7, 2013
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The alanine model dipeptide Ac-Ala-NH2 exists as a mixture of Ceq7 and C5 conformers

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Abstract

Microwave spectroscopy has been applied to characterize the conformations adopted in the gas phase by a small peptide derived from alanine, N-acetyl-L-alaninamide (Ac-Ala-NH2). This compound was vaporized by laser ablation and shown to exist as a mixture of Ceq7 and C5 conformers stabilized by a CO⋯HN intramolecular hydrogen bond closing a seven- or a five-membered ring, respectively. The complicated quadrupole hyperfine structure originated from two 14N nuclei has been completely resolved for both species and the derived nuclear quadrupole coupling constants have been used to determine the Ramachandran angles that describe their molecular shapes.

Graphical abstract: The alanine model dipeptide Ac-Ala-NH2 exists as a mixture of Ceq7 and C5 conformers

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Publication details

The article was received on 05 Nov 2012, accepted on 11 Dec 2012 and first published on 12 Dec 2012


Article type: Paper
DOI: 10.1039/C2CP43924G
Citation: Phys. Chem. Chem. Phys., 2013,15, 2580-2585
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    The alanine model dipeptide Ac-Ala-NH2 exists as a mixture of Ceq7 and C5 conformers

    C. Cabezas, M. Varela, V. Cortijo, A. I. Jiménez, I. Peña, A. M. Daly, J. C. López, C. Cativiela and J. L. Alonso, Phys. Chem. Chem. Phys., 2013, 15, 2580
    DOI: 10.1039/C2CP43924G

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