Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra-<i>p</i>-Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds

Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra-<i>p</i>-Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds

This manuscript reports the improved synthesis of the &#945;,&#945;,&#945;,&#945; isomer of tetra-<i>p</i>-iodophenyl tetra-methyl calix[4]pyrrole and the X-ray characterization of two solvate polymorphs. In the solid state, the calix[4]pyrrole receptor adopts the cone co...

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Bibliographic Details
Main Authors: Dragoș Dăbuleanu, Antonio Bauzá, Joaquín Ortega-Castro, Eduardo C. Escudero-Adán, Pablo Ballester, Antonio Frontera
Format: Article
Language:English
Published: MDPI AG 2020-01-01
Series:Molecules
Subjects:
polymorphs
halogen bonds
supramolecular chemistry
lattice energies
density functional theory (dft) calculations
Online Access:https://www.mdpi.com/1420-3049/25/2/285

Internet

https://www.mdpi.com/1420-3049/25/2/285

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