The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures

CrystEngComm ◽  
2013 ◽  
Vol 15 (29) ◽  
pp. 5799 ◽  
Author(s):  
Hamid Reza Khavasi ◽  
Alireza Azhdari Tahrani
Keyword(s):  
Coordination Compounds ◽  
Supramolecular Assembly ◽  
Supramolecular Structures ◽  
Coordination Modes ◽  
Secondary Bonding

Hydrogen bonded supramolecular structures: a further insight into the diamine-diol recognition and self-assembly

2000 ◽  
Vol 78 (6) ◽  
pp. 723-731 ◽  
Author(s):  
Stefano Roelens ◽  
Paolo Dapporto ◽  
Paola Paoli
Keyword(s):  
Molecular Recognition ◽  
Gas Phase ◽  
Self Assembly ◽  
Supramolecular Assembly ◽  
Supramolecular Structures ◽  
Unique Role ◽  
X Ray ◽  
Molecular Code ◽  
Insight Into

A new H-bonded supramolecular assembly of the diamine-diol family has been obtained from (1R,2R)-1,2-diaminocyclohexane (DAC) and (S)-1-phenyl-1,2-ethanediol (PED). The structure was characterized by single-crystal X-ray analysis and showed the typical architecture of DAC based assemblies, consisting of a three-stranded helicate coiling around a H-bonded core, with a predictable helicity sense determined by the configuration of DAC. The new assembly, while reconfirming the unique role of DAC as a powerful assembler of supramolecular structures, demonstrated that the C2 symmetry of diol partners employed so far is not essential for assembling helicates, although chirality is. In the case of the adduct between (1R,2R)-1,2-diaminocyclohexane and (2R,3R)-2,3-butanediol, molecular recognition and self-assembly have been shown to take place even in the absence of solvent, in the gas phase, where long crystals were formed by spontaneous organized aggregation of diamine-diol units. A thorough analysis of the results from the present and previous investigations has lead to a deeper understanding of the key features of the diamine-diol molecular code and of the requirements for recognition and assembly.Key words: supramolecular, hydrogen bonding, molecular recognition, self-assembly, diamines, diols.

The role of hydrogen bonding on supramolecular assembly of the mercury coordination compounds and final structure influenced by solvent effect

2015 ◽  
Vol 429 ◽  
pp. 1-14 ◽  
Author(s):  
Ghodrat Mahmoudi ◽  
Ali Akbar Khandar ◽  
Jan K. Zaręba ◽  
Michał J. Białek ◽  
Masoumeh Servati Gargari ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solvent Effect ◽  
Coordination Compounds ◽  
Supramolecular Assembly ◽  
Final Structure

The role of zero-field splitting and π-stacking interaction of different nitrogen-donor ligands on the optical properties of luminescent rhenium tricarbonyl complexes

2021 ◽  
Author(s):  
Plinio Cantero-López ◽  
Yoan Hidalgo-Rosa ◽  
Zoraida Sandoval-Olivares ◽  
Julián Santoyo-Flores ◽  
Pablo Mella ◽  
...  
Keyword(s):  
Excited States ◽  
Coordination Compounds ◽  
Donor Ligands ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Nitrogen Donor Ligands ◽  
Nitrogen Donor ◽  
Π Stacking Interaction ◽  
Rhenium Tricarbonyl

Rhenium tricarbonyl complexes are one of the most important classes of coordination compounds in inorganic chemistry. Exploring their luminescent excited states, lowest singlet (S1), and the lowest triplet (T1), is...

Exploring secondary interactions and the role of temperature in moisture-contaminated polymer networks through molecular simulations

Soft Matter ◽  
2021 ◽  
Vol 17 (10) ◽  
pp. 2942-2956
Author(s):  
Rishabh D. Guha ◽  
Ogheneovo Idolor ◽  
Katherine Berkowitz ◽  
Melissa Pasquinelli ◽  
Landon R. Grace
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Temperature Variation ◽  
Polymer Networks ◽  
Molecular Simulations ◽  
Effect Of Temperature ◽  
Secondary Interactions ◽  
Dynamics Simulations ◽  
Secondary Bonding

We investigated the effect of temperature variation on the secondary bonding interactions between absorbed moisture and epoxies with different morphologies using molecular dynamics simulations.

The role of the Lewis acid−base properties in the supramolecular association of 1,2,5-chalcogenadiazoles

2013 ◽  
Vol 91 (5) ◽  
pp. 338-347 ◽  
Author(s):  
Anthony F. Cozzolino ◽  
Philip J.W. Elder ◽  
Lucia Myongwon Lee ◽  
Ignacio Vargas-Baca
Keyword(s):  
Topological Analysis ◽  
Structural Features ◽  
Lewis Acidity ◽  
Electron Localization ◽  
Dispersion Forces ◽  
Acid Base ◽  
Lewis Bases ◽  
The Individual ◽  
Secondary Bonding

The secondary bonding interactions that link the supramolecular structures assembled by 1,2,5-chalcogenadiazoles were analyzed through explicit orthogonalization of molecular orbitals (NBO), topological analysis of the electron density (AIM), and the electron localization function (ELF). The results of these analyses are consistent with a bonding description that attributes important covalent and electrostatic character to these interactions. Application of these analyses to the individual molecules highlighted the structural features from which each of those contributions originates, namely the polarity and modest strength of the E–N bond. Both of these effects increase along the series S, Se, Te. Perturbations to the heterocycle electronic structure that result in a weaker and more polar E–N bond cause an increase in the Lewis acidity at the chalcogen centre, which in turn leads to stronger secondary bonding interactions with Lewis bases. Additionally, the contribution of dispersion forces is not negligible and is most important in the case of sulfur.

Supramolecular assembly of two copper(II) coordination compounds of topiroxostat with dialkylformamide ligands

2019 ◽  
Vol 74 (6) ◽  
pp. 479-484 ◽  
Author(s):  
Li-Ting Jiang ◽  
Xiang Chang ◽  
Sheng-Chun Chen ◽  
Xue-Jun Feng ◽  
Qun Chen
Keyword(s):  
Coordination Compounds ◽  
Supramolecular Assembly ◽  
Oxidase Inhibitor ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Thermal Stabilities ◽  
Xanthine Oxidase Inhibitor ◽  
Triclinic Space Group ◽  
Space Group ◽  
Supramolecular Coordination

AbstractA well-known selective xanthine oxidase inhibitor topiroxostat, 4-[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]-2-pyridinecarbonitrile (ptpc), was selected to react with Cu(NO3)2 · 3H2O in dialkylformamide solvents, affording two novel supramolecular coordination compounds [Cu(ptpc)2(NO3)(DMF)2] · NO3 (1) and Cu(ptpc)2(NO3)2(DEF)2 (2). Single-crystal X-ray diffraction revealed that compound 1 crystallizes in the monoclinic space group C2/c. The components are assembled to a 3D supramolecular framework through hydrogen-bonding interactions between the large [Cu(ptpc)2(NO3)(DMF)2]+ cationic moieties and the nitrate anions. Compound 2 crystallizes in the triclinic space group P1̅ and shows a 2D hydrogen-bonded network structure. The results clearly indicate that dialkylformamide solvents with different sizes have an important influence on the structures of the complexes. The luminescence properties of 1 and 2 in the solid state and their thermal stabilities were also investigated.

Role of the deposition temperature on the self-assembly of the non-planar molecule benzene-1,3,5-triphosphonic acid (BTP) at the liquid–solid interface

2016 ◽  
Vol 18 (35) ◽  
pp. 24219-24227 ◽  
Author(s):  
Doan Chau Yen Nguyen ◽  
Lars Smykalla ◽  
Thi Ngoc Ha Nguyen ◽  
Michael Mehring ◽  
Michael Hietschold
Keyword(s):  
Self Assembly ◽  
Deposition Temperature ◽  
Supramolecular Structures ◽  
The Self ◽  
Solid Interface ◽  
Planar Molecule ◽  
Hydrogen Bonded

Hydrogen-bonded supramolecular structures of BTP at the undecanol–graphite interface were studied by STM in dependence on the deposition temperature.

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