scholarly journals Polyoxometalates as components of supramolecular assemblies

2019 ◽  
Vol 10 (16) ◽  
pp. 4364-4376 ◽  
Author(s):  
Maria Stuckart ◽  
Kirill Yu. Monakhov
Keyword(s):  
Applied Science ◽  
Supramolecular Assemblies ◽  
Non Covalent Interactions ◽  
Covalent Interactions ◽  
Inorganic And Organic

The non-covalent interactions between polyoxometalates and inorganic- and organic-based moieties give rise to functional nanoassemblies with diverse potential in applied science.

Non-Covalent Interactions in Supramolecular Assemblies Investigated with Electron Spectroscopies

ChemPhysChem ◽  
2009 ◽  
Vol 10 (6) ◽  
pp. 896-900 ◽  
Author(s):  
Miguel Ruiz-Osés ◽  
Dimas G. de Oteyza ◽  
Isabel Fernández-Torrente ◽  
Nora Gonzalez-Lakunza ◽  
Phillipp M. Schmidt-Weber ◽  
...  
Keyword(s):  
Supramolecular Assemblies ◽  
Non Covalent Interactions ◽  
Covalent Interactions

scholarly journals A combined experimental and computational study on supramolecular assemblies in hetero-tetranuclear nickel(ii)–cadmium(ii) complexes with N2O4-donor compartmental Schiff bases

2016 ◽  
Vol 45 (38) ◽  
pp. 15048-15059 ◽  
Author(s):  
Sourav Roy ◽  
Anik Bhattacharyya ◽  
Sourav Purkait ◽  
Antonio Bauzá ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Schiff Bases ◽  
Computational Study ◽  
Supramolecular Assembly ◽  
Supramolecular Assemblies ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The contribution of various non-covalent interactions in the supramolecular assembly of two new hetero-polynuclear nickel(ii)–cadmium(ii) complexes with salicylidine Schiff bases were estimated.

A combined experimental and computational study of supramolecular assemblies in ternary copper(ii) complexes with a tetradentate N4donor Schiff base and halides

RSC Advances ◽  
2014 ◽  
Vol 4 (102) ◽  
pp. 58643-58651 ◽  
Author(s):  
Anik Bhattacharyya ◽  
Prasanta Kumar Bhaumik ◽  
Antonio Bauzá ◽  
Partha Pratim Jana ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Schiff Base ◽  
Dft Calculations ◽  
Computational Study ◽  
Supramolecular Assemblies ◽  
Schiff Base Complexes ◽  
Molecular Networks ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Three new copper(ii) Schiff base complexes have been prepared and characterized. DFT calculations were employed to estimate the contribution of different non-covalent interactions in the extended supra-molecular networks.

scholarly journals Disclosing the multi-faceted world of weakly interacting inorganic systems by means of NMR spectroscopy

2016 ◽  
Vol 45 (7) ◽  
pp. 2785-2790 ◽  
Author(s):  
Luca Rocchigiani ◽  
Alceo Macchioni
Keyword(s):  
Nmr Spectroscopy ◽  
Intermolecular Forces ◽  
Supramolecular Assemblies ◽  
Inorganic Systems ◽  
Weakly Interacting ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The potential of NMR spectroscopy to investigate inorganic systems whose structure and reactivity is affected by non-covalent interactions is described; supramolecular assemblies based on relatively unusual intermolecular forces or on more classical ones, still rather unexplored in solution, are considered.

Supramolecular 2D Monolayered Nanosheets Constructed by Using Synergy of Non-covalent Interactions

2021 ◽  
Author(s):  
Jing Zhang ◽  
Shuaiwei Qi ◽  
Chenyang Zhang ◽  
Wenzhe Wang ◽  
Qinwen Ding ◽  
...  
Keyword(s):  
Synergistic Effect ◽  
Noncovalent Interactions ◽  
Supramolecular Assemblies ◽  
Rational Approach ◽  
Two Dimensional ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Here, a straightforward and rational approach to construct supramolecular assemblies with ordered nanostructure in a two-dimensional arrangement is reported. Taking advantage of the synergistic effect of multiple noncovalent interactions (hydrogen...

NON COVALENT INTERACTIONS IN LARGE DIAMONDOID DIMERS IN THE GAS PHASE - A MICROWAVE STUDY

2017 ◽  
Author(s):  
Cristobal Perez ◽  
Melanie Schnell ◽  
Peter Schreiner ◽  
Norbert Mitzel ◽  
Yury Vishnevskiy ◽  
...  
Keyword(s):  
Gas Phase ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Vapour Pressure Isotope Effect on Evaporation from Pure Organic Phases - a PIMD Approach

2020 ◽  
Author(s):  
Luis Vasquez ◽  
Agnieszka Dybala-Defratyka
Keyword(s):  
Path Integral ◽  
Vapour Pressure ◽  
Density Functional ◽  
Isotope Effects ◽  
Tight Binding ◽  
Decomposition Analysis ◽  
Energy Decomposition Analysis ◽  
Special Importance ◽  
Non Covalent Interactions ◽  
Covalent Interactions

<p></p><p>Very often in order to understand physical and chemical processes taking place among several phases fractionation of naturally abundant isotopes is monitored. Its measurement can be accompanied by theoretical determination to provide a more insightful interpretation of observed phenomena. Predictions are challenging due to the complexity of the effects involved in fractionation such as solvent effects and non-covalent interactions governing the behavior of the system which results in the necessity of using large models of those systems. This is sometimes a bottleneck and limits the theoretical description to only a few methods.<br> In this work vapour pressure isotope effects on evaporation from various organic solvents (ethanol, bromobenzene, dibromomethane, and trichloromethane) in the pure phase are estimated by combining force field or self-consistent charge density-functional tight-binding (SCC-DFTB) atomistic simulations with path integral principle. Furthermore, the recently developed Suzuki-Chin path integral is tested. In general, isotope effects are predicted qualitatively for most of the cases, however, the distinction between position-specific isotope effects observed for ethanol was only reproduced by SCC-DFTB, which indicates the importance of using non-harmonic bond approximations.<br> Energy decomposition analysis performed using the symmetry-adapted perturbation theory (SAPT) revealed sometimes quite substantial differences in interaction energy depending on whether the studied system was treated classically or quantum mechanically. Those observed differences might be the source of different magnitudes of isotope effects predicted using these two different levels of theory which is of special importance for the systems governed by non-covalent interactions.</p><br><p></p>

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