We investigated the Fourier transform microwave spectra of the hydrated forms of the N-methylformamide (NMF) in a supersonic expansion and assigned the rotational spectra of two mono-hydrated species. The conformation of each molecular complex was reliably determined on the basis of the values of the rotational constants, of the relative intensities of a- and b-type transitions, and of the features of the 14N quadrupole hyperfine structure of the rotational transitions. In both complexes water acts as a proton donor and NMF has a trans configuration of the peptidic group. In the most stable of these conformers, water is also weakly bound to the methyl group.

How water links to cis and trans peptidic groups: the rotational spectrum of N-methylformamide–water

CAMINATI, WALTHER;
2010

Abstract

We investigated the Fourier transform microwave spectra of the hydrated forms of the N-methylformamide (NMF) in a supersonic expansion and assigned the rotational spectra of two mono-hydrated species. The conformation of each molecular complex was reliably determined on the basis of the values of the rotational constants, of the relative intensities of a- and b-type transitions, and of the features of the 14N quadrupole hyperfine structure of the rotational transitions. In both complexes water acts as a proton donor and NMF has a trans configuration of the peptidic group. In the most stable of these conformers, water is also weakly bound to the methyl group.
W.Caminati; J.C.López; S.Blanco; S.Mata; J.L.Alonso
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11585/96629
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