Selective recognition of “solvent” molecules in solution and the solid state by 1,4-dimethoxypillar[5]arene driven by attractive forces

2014 ◽  
Vol 38 (2) ◽  
pp. 845 ◽  
Author(s):  
Li-Li Tan ◽  
Yumo Zhang ◽  
Bao Li ◽  
Kai Wang ◽  
Sean Xiao-An Zhang ◽  
...  
Keyword(s):  
Solid State ◽  
Selective Recognition ◽  
Solvent Molecules

scholarly journals 1,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithione

IUCrData ◽  
2019 ◽  
Vol 4 (9) ◽  
Author(s):  
Jayaraman Selvakumar ◽  
Kuppuswamy Arumugam
Keyword(s):  
Crystal Structure ◽  
Molecular Weight ◽  
Solid State ◽  
Structural Analysis ◽  
Hydrogen Bonds ◽  
Cell Volume ◽  
Title Compound ◽  
Unit Cell Volume ◽  
Density Peaks ◽  
Solvent Molecules

The solid-state structural analysis of the title compound [systematic name: 5,11-disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-tetraazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-2,8-dione], C44H44N4O2S2 [+solvent], reveals that the molecule crystallizes in a highly symmetric cubic space group so that one quarter of the molecule is crystallographically unique, the molecule lying on special positions (two mirror planes, two twofold axes and a center of inversion). The crystal structure exhibits large cavities of 193 Å3 accounting for 7.3% of the total unit-cell volume. These cavities contain residual density peaks but it was not possible to unambiguously identify the solvent therein. The contribution of the disordered solvent molecules to the scattering was removed using a solvent mask and is not included in the reported molecular weight. No classical hydrogen bonds are observed between the main molecules.

scholarly journals DNA-specific selectivity in pairing of model nucleobases in the solid state

2020 ◽  
Vol 56 (88) ◽  
pp. 13524-13527 ◽  
Author(s):  
Tomislav Stolar ◽  
Stipe Lukin ◽  
Martin Etter ◽  
Maša Rajić Linarić ◽  
Krunoslav Užarević ◽  
...  
Keyword(s):  
Solid State ◽  
Reaction Medium ◽  
Selective Recognition ◽  
Specific Selectivity

Solid-state may serve as the reaction medium for selective recognition between model nucleobases.

scholarly journals Effect of Heterocyclic Ring on LnIII Coordination, Luminescence and Extraction of Diamides of 2,2′-Bipyridyl-6,6′-Dicarboxylic Acid

Molecules ◽  
2019 ◽  
Vol 25 (1) ◽  
pp. 62 ◽  
Author(s):  
Nataliya E. Borisova ◽  
Alexey V. Ivanov ◽  
Anastasia V. Kharcheva ◽  
Tsagana B. Sumyanova ◽  
Uliana V. Surkova ◽  
...  
Keyword(s):  
Solid State ◽  
Dicarboxylic Acid ◽  
Large Deviation ◽  
Specific Interaction ◽  
Heterocyclic Ring ◽  
Solution Stability ◽  
Solvent Molecules ◽  
Electron Sink ◽  
Structure In Solution ◽  
Eu Complexes

We have synthesized and examined several complexes of lanthanides with diamides of 2,2′-bipyridyl-6,6′-dicarboxylic acid bearing various hetaryl-based side chains for the elucidation of the effect of the heterocycle on the structure and properties of the ligands. The multigram scale methods for the preparation of various N-alkyl-hetaryls and their diamides were developed. The solid state structure of 6-methyl-2-pyridylamide of 2,2′-bipyridyl-6,6′-dicarboxylic acid possesses a flat structure where the conformation is completely different from that previously observed for N-alkylated 2,2′-bipyridyl-6,6′-dicarboxamides and 2,6-pyridinedicarboxamides. The complexes of new ligands were synthesized and NMR and X-Ray studied their structure in solution and solid state. The results demonstrate that complexes possess the same structures both in solid state and in solution. Stability constants of the complexes were less when comparing with dimethyl-substituted diamides, but higher than for unsubstituted dianilide. Contrarily, the extraction ability of 2-pyridyl-diamide is significantly lower than for corresponding anilide. Specific interaction of extractant with solvent molecules, which is not available for electron-sink pyridine amides, can explain this. The luminescence of new Eu complexes was significantly higher than for all previously 2,2′-bipyridyl-6,6′-dicarboxamides and QY reaches 18%. Asymmetry ratios of Eu complexes were 25% higher when compared other complexes with 2,2′-bipyridyl-6,6′-dicarboxamides, which indicates large deviation from the inversion center.

Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)

1997 ◽  
Vol 53 (2) ◽  
pp. 293-299 ◽  
Author(s):  
T. Y. Fu ◽  
Z. Liu ◽  
G. Olovsson ◽  
J. R. Scheffer ◽  
J. Trotter
Keyword(s):  
Solid State ◽  
Single Crystals ◽  
Crystal Structures ◽  
Inclusion Compounds ◽  
Enantiomeric Excess ◽  
Structural Features ◽  
Host Molecule ◽  
Diphenylphosphine Oxide ◽  
Solvent Molecules

Inclusion complexes of 9,10-dihydro-9,10-etheno-anthracene-11,12-bis(diphenylphosphine oxide) (1) as host are synthesized using a variety of guest solvent molecules and the photochemistry of the host molecule is studied in solution and in the crystalline complexes. The crystal structures of four complexes are determined and correlated with their photochemical reactivity. In each case only one dibenzosemibullvalene photoproduct is obtained in the photolysis. Since three of the complexes studied crystallize in the chiral space group P212121, irradiation of single crystals produces a chiral photoproduct in >90% enantiomeric excess. Determination of the absolute configurations of reactants and products allows elucidation of the key structural features that control the enantiospecific solid-state photorearrangements.

Hexapodal pyrazole-based receptors: complexes with ammonium ions and solvent molecules in the solid state

Tetrahedron ◽  
2015 ◽  
Vol 71 (47) ◽  
pp. 8965-8974 ◽  
Author(s):  
Niklas Koch ◽  
Wilhelm Seichter ◽  
Monika Mazik
Keyword(s):  
Solid State ◽  
Ammonium Ions ◽  
Solvent Molecules

scholarly journals Rigidified malononitrile- and ketone-merocyanines in rigid environments

2015 ◽  
Vol 34 (1) ◽  
pp. 151 ◽  
Author(s):  
Tomce Runcevski ◽  
Katharina C Kreß ◽  
Nanna Wahlberg ◽  
Robert E Dinnebier ◽  
Sabine Laschat
Keyword(s):  
Solid State ◽  
Electron Donor ◽  
Crystal Packing ◽  
Molecular System ◽  
Spectral Shift ◽  
Molecular Structures ◽  
Peak Broadening ◽  
Donor And Acceptor ◽  
Electron Donor And Acceptor ◽  
Solvent Molecules

<p class="03Abstract">Two merocyanine dyes containing a malononitrile or a ketone functional group as electron-acceptors, and a piperidine group as electron-donor were synthetized and crystallized as pigments. The electron-donor and -acceptor moieties are linked <em>via</em> an octahydroanthracene skeleton, forming an electronic push-pull molecular system. The crystal structure of the malononitrile compound was solved <em>ab initio</em> from X-ray powder diffraction data, complementing the reported structure of the ketone pigment. Both compounds show similar molecular structures in the solid state, yet with completely different crystal packing schemes. The crystal structures were analysed with inspecting the Hirshfeld surfaces. IR spectroscopy was applied to complement the crystallographic study. The absorption characteristics of both pigments emerge from the push-pull chemical structure, which was visualized by plotting the electrostatic potentials, calculated using molecular geometries as observed in the solid state. The solid state UV-vis spectra showed peak broadening and bathochromic spectral shift as compared to the spectra recorded in solution, depending on the polarity of the solvent molecules: The largest shifts of the spectra of solid state pigments were observed with respect to the spectra recorded in toluene solution, whether the smallest to those in ethanol. </p>

scholarly journals Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle

CrystEngComm ◽  
2014 ◽  
Vol 16 (20) ◽  
pp. 4126-4132 ◽  
Author(s):  
Marike du Plessis ◽  
Vincent J. Smith ◽  
Leonard J. Barbour
Keyword(s):  
Phase Transformation ◽  
Solid State ◽  
Single Crystal ◽  
Phase Transformations ◽  
Guest Molecules ◽  
Solvent Molecules

The acetonitrile guest molecules in this porous metallocycle can be exchanged for different solvent molecules in a single-crystal to single-crystal manner. These guest exchanges are accompanied by a phase transformation in the solid state.

Unsymmetrical N and/or O-bridged calixarene derivatives: synthesis, structure and encapsulation of solvent molecules in the solid state

2012 ◽  
Vol 53 (10) ◽  
pp. 1222-1226 ◽  
Author(s):  
Jingjing Yuan ◽  
Yanping Zhu ◽  
Mi Lian ◽  
Qinghe Gao ◽  
Meicai Liu ◽  
...  
Keyword(s):  
Solid State ◽  
Solvent Molecules

Solvent molecules trapped in supramolecular organic nanotubes: a combined solid-state NMR and DFT study

2004 ◽  
Vol 388 (1-3) ◽  
pp. 164-169 ◽  
Author(s):  
Anke Hoffmann ◽  
Daniel Sebastiani ◽  
Erli Sugiono ◽  
Sungoo Yun ◽  
Kwang S Kim ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Dft Study ◽  
Solvent Molecules ◽  
Organic Nanotubes
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