The formamide2-H2O complex: Structure and hydrogen bond cooperative effects

Lopez, Juan Carlos

Permalink

https://hdl.handle.net/2142/91248 Copy

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

Date of Ingest

2017-01-26T21:38:24Z

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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Genre of Resource

Conference Paper / Presentation

Language

En

Permalink

http://hdl.handle.net/2142/91248

Copyright and License Information

Copyright 2016 by the authors

Owning Collections