X-ray diffraction and 13C solid-state NMR studies of the solvate of tetra(C-undecyl)calix[4]resorcinarene with dimethylacetamide

Literature Information

Publication Date 2002-05-01
DOI 10.1039/B107416B
Impact Factor 3.676
Authors

Lukasz Dobrzycki, Krzysztof Wozniak, Francesca Benevelli, Jacek Klinowski


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Abstract

Single crystal X-ray diffraction (XRD) analysis of the complex of calix[4]resorcinarene (CAV11) with dimethylacetamide (DMA) shows that the CAV11 molecules form centrosymmetric dimers, held by van der Waals interactions of the C-undecyl aliphatic chains. The dimers are associated in layers with hydroxyl groups at the surfaces. The DMA molecules are found between the CAV11 layers, above the cavities formed by the resorcine units and distant from them. They join the layers of CAV11 by molecular forces, in particular by various hydrogen bonds, and are relatively immobile. The 13C CP/MAS spectra are in reasonable agreement with the XRD results.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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