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.
Titolo: | How water links to cis and trans peptidic groups: the rotational spectrum of N-methylformamide–water |
Autore/i: | CAMINATI, WALTHER; J. C. López; S. Blanco; S. Mata; J. L. Alonso |
Autore/i Unibo: | |
Anno: | 2010 |
Rivista: | |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1039/c003649h |
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. |
Data prodotto definitivo in UGOV: | 2011-01-29 20:59:27 |
Appare nelle tipologie: | 1.01 Articolo in rivista |