Direct observation of the effects of small-amplitude motions on 13C nuclear shielding tensors by means of low-temperature 2D MAS NMR spectroscopy
| Autor: | Maria Concistrè, Marco Geppi, Ole G. Johannessen, Elisa Carignani, Silvia Borsacchi |
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| Rok vydání: | 2018 |
| Předmět: |
Low-temperature NMR
Work (thermodynamics) Materials science NMR spectroscopy 13C CSA Ibuprofen Molecular motions Field (physics) General Physics and Astronomy 02 engineering and technology 010402 general chemistry 01 natural sciences Physics and Astronomy (all) Molecule Physical and Theoretical Chemistry Direct observation Nuclear magnetic resonance spectroscopy 021001 nanoscience & nanotechnology 0104 chemical sciences Vibration Solid-state nuclear magnetic resonance Chemical physics Electromagnetic shielding 0210 nano-technology |
| Zdroj: | Chemical physics letters 706 (2018): 107–112. doi:10.1016/j.cplett.2018.05.075 info:cnr-pdr/source/autori:Elisa Carignani, Silvia Borsacchi, Maria Concistrè, Ole G.Johannessen, Marco Geppi/titolo:Direct observation of the effects of small-amplitude motions on 13C nuclear shielding tensors by means of low-temperature 2D MAS NMR spectroscopy/doi:10.1016%2Fj.cplett.2018.05.075/rivista:Chemical physics letters (Print)/anno:2018/pagina_da:107/pagina_a:112/intervallo_pagine:107–112/volume:706 |
| ISSN: | 0009-2614 |
| Popis: | Fast small-amplitude motions, such as vibrations or librations, do affect NMR properties of molecules in the solid state. The quantification of these effects is very important for structural studies exploiting Solid State NMR and computational methods, particularly in the field of NMR crystallography. In this work 2D MAS NMR experiments were carried out over a wide range of low temperatures (129–295 K) on a non-standard high-resolution Solid State NMR equipment to obtain the first experimental determination of the effects of small-amplitude motions on 13C Chemical Shift Tensors of a multi-carbon molecule (ibuprofen). |
| Databáze: | OpenAIRE |
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