Unexpected structural/motional mode of water intercalated into an α‐crystalline zirconium phosphate deduced by 31 P and 2 H solid‐state MAS NMR spectra

Autor:	Sayan Banerjee, Vladimir I. Bakhmutov, Aida Contreras-Ramirez, Hong-Cai Zhou
Rok vydání:	2021
Předmět:	education.field_of_study Hydrogen Hydrogen bond Chemistry Intercalation (chemistry) Population Relaxation (NMR) chemistry.chemical_element General Chemistry Crystallography chemistry.chemical_compound Deuterium Zirconium phosphate Molecule General Materials Science education
Zdroj:	Magnetic Resonance in Chemistry. 60:189-195
ISSN:	1097-458X 0749-1581
Popis:	In developing the approach to understanding dynamics of intercalates in layered materials, crystalline-layered zirconium phosphate Zr (HPO4 )2 ·0.35D2 O has been prepared and characterized by the 1 H, 31 P, and 2 H solid-state MAS NMR spectra, including 31 P and 2 H T1 measurements. At temperatures >253 K, the intercalated water shows two spectrally-distinguished deuterons unprecedentedly with different DQCC's and 2 H T1 times, one of which is hydrogen bonded. The collected data allowed to identify an unexpected bonding/dynamic mode of water molecules, which experience fast rotation around the hydrogen bond, formed with a zirconium-coordinated oxygen. The low-temperature 2 H MAS NMR experiments have demonstrated the presence of additional hydrogen bond P(H)O˙˙˙ DO, population of which grows on cooling to 195 K corresponding to the doubly hydrogen-bonded immobile water molecule.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::973a4b09ae1891f49b6b14091f2de727 https://doi.org/10.1002/mrc.5225 Zobrazit plný text záznamu Plný text