Translational and Rotational Dynamics of Molecules Confined in Zeolite Nanocages by Means of Deuteron NMR
| Autor: | A. Birczyński, Z. T. Lalowicz, Artur Krzyżak |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Chemistry
Hydrogen bond Relaxation (NMR) 02 engineering and technology Nuclear magnetic resonance spectroscopy 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Spectral line 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Molecular dynamics General Energy Nanocages Computational chemistry Chemical physics Phase (matter) Molecule Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry C. 121:26472-26482 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.7b06894 |
| Popis: | The main aim of our approach is to gain a comprehensive view of mobility of small molecules in confinement as reported by 2H NMR spectroscopy. The spectra and spin–lattice relaxation were measured in a wide range of temperature. A set of molecules, D2,CD4,D2O,ND3,CD3OD and (CD3)2CO, was chosen and introduced into NaX and NaY zeolites. A wide range of loadings provides another dimension in studies of molecular mobility in confinement. Observed features reflect evolution on decreasing temperature of molecular dynamics from gaseous state over liquid-like rotational phase to immobilized molecules. Molecules become immobilized below the temperature TS, which appears to be an important parameter related to the strength of interactions with zeolite framework. For chosen zeolites, NaX and NaY, hydrogen bonding, and electrostatic interaction dominate, respectively. We restrict ourselves in reporting results above TS, as below molecular mobility is reduced to internal rotations when possible. The existence of D2O c... |
| Databáze: | OpenAIRE |
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