RT info:eu-repo/semantics/article
T1 Water-Induced Structural Changes in Crown Ethers from Broadband Rotational Spectroscopy
A1 Pérez, Cristóbal
A1 López Alonso, Juan Carlos
A1 Blanco Rodríguez, Susana
A1 Schnell, Melanie
K1 Spectroscopy
AB The complexes of 12-crown-4 ether (12C4) with water, generated in a supersonic jet, have been studied using broadband Fourier transform microwave spectroscopy. Three 1:1 and one 1:2 clusters have been observed and their structures unambiguously identified through the observation of isotopologue spectra. The structures of the clusters are based on networks of O-H···O and C-H···O hydrogen bonds. The most abundant 1:1 cluster is formed from the most stable S4 symmetry conformer of 12C4, even though it is not the energetically favored water complex. Interestingly, the structures of the most stable water cluster and the other remaining observed 1:1 and 1:2 complexes are formed from the third or the fifth most abundant conformers of 12C4. This shows the existence of a mechanism that changes the configuration of 12C4 so that the host-guest interactions can be maximized, even for a “soft” ligand like water.
PB American Chemical Society
SN 1948-7185
YR 2016
FD 2016
LK http://uvadoc.uva.es/handle/10324/21854
UL http://uvadoc.uva.es/handle/10324/21854
LA eng
NO Journal of Physical Chemistry Letters, 2016, 7 (20), p. 4053−4058
NO Producción Científica
DS UVaDOC
RD 28-dic-2024