Home
Resources
Publications
Water induces the same crown shapes as Li + or Na + in 15-crown-5 ether: a broadband rotational study

Water induces the same crown shapes as Li + or Na + in 15-crown-5 ether: a broadband rotational study

Juan C López, Cristóbal Pérez, Susana Blanco, V Alvin Shubert, Berhane Temelso, George C Shields, Melanie Schnell

Phys Chem Chem Phys. 2019 Feb 6;21(6):2875-2881.

PMID: 30411741

Abstract:

15-Crown-5 ether (15C5) and its complexes with water have been studied using broadband Fourier transform microwave spectroscopy in a supersonic jet. A new conformer of 15C5 has been observed and established as the new global minimum out of a total of nine isolated structures. In addition, two 15C5-H2O and two 15C5-(H2O)2 clusters have been observed. The cluster structures have been unambiguously identified through the observation of water 18O isotopologue spectra. In all the clusters, at least one water molecule, located close to the axis of the 15C5 ring, interacts through two simultaneous hydrogen bonds to the endocyclic oxygen atoms. This interaction reshapes the 15C5 ring to reduce its rich conformational landscape to only two open structures, related to those found in complexes with Li+ or Na+ ions. In the most abundant 15C5-(H2O)2 form, the two water molecules repeat the same interaction scheme while binding to opposite sides of the ring. In the second most abundant dihydrated form the two water molecules lie on the same side of the ring. This finding is exceptionally rare because water-water interactions typically prevail over the formation of additional solute-water contacts, and it showcases the particular binding features of crown ethers.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP14314422	Water-18O		14314-42-2	Price

As a specialist in analytical chemical Products, Alfa Chemistry offers consumers a wealth of raw materials and a full range of technologies and services.

QUICK LINKS

HEADQUARTERS

Tel:

Fax:

Email: