The formamide2-H2O complex: Structure and hydrogen bond cooperative effects
Lopez, Juan Carlos
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https://hdl.handle.net/2142/91248
Description
Title
The formamide2-H2O complex: Structure and hydrogen bond cooperative effects
Author(s)
Lopez, Juan Carlos
Contributor(s)
Pinacho, Pablo
Blanco, Susana
Issue Date
2016-06-23
Keyword(s)
Clusters/Complexes
Abstract
The adduct formamide$_2$-H$_2$0 has been detected in a supersonic expansion and its rotational spectra in the 5-13 GHz frequency region characterized by narrow-band molecular beam Fourier transform microwave spectroscopy (MB-FTMW). The spectrum shows the hyperfine structure due to the presence of two $^{14}$N-nuclei. This hyperfine structure has been analyzed and the determined quadrupole coupling constants together with the rotational constants have been a key for the identification of the adduct structure on the light of ab initio computations. The rotational parameters are consistent with the formation of a three body cycle thanks to the double proton acceptor/proton donor character of both formamide and water. The low value of the planar moment of inertia \textit{P}$_{cc}$ indicates that the heavy atom skeleton of the cluster is essentially planar. A detailed analysis of the results reveals the subtle effects of hydrogen bond cooperative effects in this system.
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