Dynamics of guest molecules in PHTP inclusion compounds as probed by solid-state NMR and fluorescence spectroscopy

2009 ◽  
Vol 11 (25) ◽  
pp. 4996 ◽  
Author(s):  
G. Srinivasan ◽  
J. A. Villanueva-Garibay ◽  
K. Müller ◽  
D. Oelkrug ◽  
B. Milian Medina ◽  
...  
Keyword(s):  
Solid State ◽  
Fluorescence Spectroscopy ◽  
Inclusion Compounds ◽  
Solid State Nmr ◽  
Guest Molecules

Solid-state NMR studies of non-ionic surfactants confined in mesoporous silica

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Gerd Buntkowsky ◽  
Sonja Döller ◽  
Nadia Haro-Mares ◽  
Torsten Gutmann ◽  
Markus Hoffmann
Keyword(s):  
Solid State ◽  
Mesoporous Silica ◽  
Solid State Nmr ◽  
Role Models ◽  
Nmr Studies ◽  
Guest Molecules ◽  
Host Interactions ◽  
Functionalized Mesoporous Silica ◽  
Current Trends ◽  
Silica Materials

Abstract This review gives an overview of current trends in the investigation of confined molecules such as higher alcohols, ethylene glycol and polyethylene glycol as guest molecules in neat and functionalized mesoporous silica materials. All these molecules have both hydrophobic and hydrophilic parts. They are characteristic role-models for the investigation of confined surfactants. Their properties are studied by a combination of solid-state NMR and relaxometry with other physicochemical techniques and molecular dynamics techniques. It is shown that this combination delivers unique insights into the structure, arrangement, dynamical properties and the guest-host interactions inside the confinement.

Introducing new half-integer quadrupolar nuclei for solid state NMR of inclusion compounds

2015 ◽  
Vol 93 (9) ◽  
pp. 1014-1024
Author(s):  
Igor L. Moudrakovski ◽  
Christopher I. Ratcliffe ◽  
John A. Ripmeester
Keyword(s):  
Solid State ◽  
Gas Hydrates ◽  
Inclusion Compounds ◽  
Chemical Shift Anisotropy ◽  
Natural Abundance ◽  
Quadrupolar Nuclei ◽  
Guest Molecules ◽  
Quadrupolar Coupling ◽  
Nmr Techniques ◽  
The Impact

Broad developments in experimental NMR techniques have opened new and exciting opportunities for application of solid state nuclear magnetic resonance (SS NMR) in studies of gas hydrates and inclusion compounds in general. Perhaps the most important advance of the last 10 years was the extension into very high magnetic fields beyond 20 T. This progress is especially significant in studies concerned with low-γ, low natural abundance, and quadrupolar nuclei. This work reports our recent exploration of clathrate hydrates and other inclusion compounds (β-quinol, tert-Bu-Calix[4], and dodecasil-3C) with SS NMR of nuclei that were not so long ago completely out of reach for NMR, namely 131Xe, 83Kr, and 33S. Although 129Xe is a widely used NMR probe, applications of the low-γ isotope 131Xe were very scarce. Being a quadrupolar spin 3/2 nucleus, 131Xe provides an additional probe for sampling the electric field gradients in inclusion compounds. Another nucleus that has been seriously under-explored is 83Kr, with its very low γ being the main obstacle, and along with quadrupolar coupling we report the first detection of the chemical shift anisotropy in krypton. The relative values of the Sternheimer antishielding factors for 131Xe and 83Kr, obtained by comparison of the spectra of the two in identical cage environments, are also discussed. Though 33S NMR of solids is notoriously difficult due to its low γ, low natural abundance, and relatively large quadrupolar moment, working at the field of 21.1 T it was possible to acquire, in a reasonable time, natural abundance 33S SS NMR spectra of various H2S and SO2 gas hydrates and inclusion compounds. In most cases the spectra are dominated by the quadrupolar interactions, providing information on the symmetry of the cages encapsulating the guest molecules, and also show the effects of very rapid reorientation of the encaged H2S and SO2. The impact of the introduction of new NMR nuclei on hydrate research is discussed.

Solid-State Photodimerization of Guest Molecules in Inclusion Compounds

2006 ◽  
Vol 2006 (18) ◽  
pp. 4164-4169 ◽  
Author(s):  
Irena Zouev ◽  
Tali Lavy ◽  
Menahem Kaftory
Keyword(s):  
Solid State ◽  
Inclusion Compounds ◽  
Guest Molecules

Loading Dependent Structural Model of Polymeric Micelles by Solid-State NMR

2019 ◽  
Author(s):  
Ann-Christin Pöppler ◽  
Michael M Lübtow ◽  
Jonas Schlauersbach ◽  
Johannes Wiest ◽  
Lorenz Meinel ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Quantum Chemical ◽  
Structural Model ◽  
Polymeric Micelles ◽  
Molecular Level ◽  
Guest Molecules ◽  
Bulk Properties ◽  
Dissolution Properties ◽  
Poorly Soluble

Physically loaded polymeric micelles - from bulk properties to a molecular level understanding: In this work, solid-state NMR complemented by PXRD and quantum chemical calculations is used to learn about the short range order and structural arrangement in polymeric micelles formed by amphiphilic triblock copolymers. From changes in chemical shift and line widths, we could observe that at higher loadings, not just the micellar core but also the hydrophilic corona is involved in coordination of poorly soluble guest molecules, which can explain the poorer dissolution properties. This can serve as a platform for the future, targeted modification of such polymers. <br>

Solid State NMR in Inclusion Compounds

1996 ◽  
pp. 101-125
Author(s):  
John A. Ripmeester ◽  
Christopher I. Ratcliffe
Keyword(s):  
Solid State ◽  
Inclusion Compounds ◽  
Solid State Nmr

Postsynthetic modification of an imine-based microporous organic network

2011 ◽  
Vol 89 (5) ◽  
pp. 577-582 ◽  
Author(s):  
Phillip A. Kerneghan ◽  
Shira D. Halperin ◽  
David L. Bryce ◽  
Kenneth E. Maly
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Acetic Anhydride ◽  
Small Molecules ◽  
Solid State Nmr ◽  
Gas Adsorption ◽  
Guest Molecules ◽  
Adsorption Studies ◽  
Postsynthetic Modification ◽  
Enhanced Resistance

A highly cross-linked microporous organic network with imine linkers was prepared by condensation of tetrakis(4-aminophenyl)methane with terephthaldehyde. Gas adsorption studies indicate that the material exhibits permanent microporosity, and guest exchange experiments demonstrate that small molecules can diffuse into the network. Postsynthetic modification of this microporous network was achieved by treatment with borane in THF, which reduced the imine groups to the corresponding amines as shown by IR and 13C CP-MAS solid-state NMR spectroscopy. The resulting material showed enhanced resistance to acidic hydrolysis compared with the imine precursor, and retained its ability to absorb guest molecules. The amine network was amenable to further postsynthetic modifications. Specifically, acetylation of this network using acetic anhydride was demonstrated.

Guest Molecules in a Layered Microporous Tin(IV) Phosphonate–Phosphate Material: Solid State NMR Studies

2018 ◽  
Vol 122 (51) ◽  
pp. 9901-9909 ◽  
Author(s):  
Vladimir I. Bakhmutov ◽  
Douglas W. Elliott ◽  
Aida R. Contreras ◽  
Abraham Clearfield
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Nmr Studies ◽  
Guest Molecules ◽  
Phosphate Material
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