Water molecular reorientation in ice and tetrahydrofuran clathrate hydrate from lineshape analysis of 17O spin-echo NMR spectra

• Published in: Canadian journal of chemistry Vol. 89; no. 9; pp. 1055 - 1064
• Format: Journal Article
• Language: English
• Published: Ottawa NRC Research Press 01.09.2011; Canadian Science Publishing NRC Research Press
• Subjects: cinétique; Computer simulation; Coupling (molecular); dynamics of non-integer quadrupolar nuclei; dynamique des noyaux quadripolaires non entiers; déplacement quadripolaire résiduel du second ordre; Gas hydrates; glace-Ih; hydrate du clathrate du THF; Ice; ice-Ih; Injection; Kinetics; Melting; Molecular dynamics; molecular reorientations of solid water; Molecular structure; NMR; Nuclear magnetic resonance; O NMR; residual second order quadrupolar shift; RMN du; réorientations moléculaires de l’eau solide; Simulation; Tetrahydrofuran; THF clathrate hydrate

Lineshape analysis of 17 O spin-echo NMR spectra has been used to study water molecular reorientations in ice-Ih and THF Structure II clathrate hydrate. The kinetics was determined by the changes of the lineshapes of the 17 O central transitions at different temperatures. A model involving 12 orient...