Mechanochemistry – A green synthetic methodology leading to metallodrugs, metallopharmaceuticals and bio-inspired metal-organic frameworks

Quaresma, Sílvia; André, Vânia; Fernandes, Auguste; Duarte, M. Teresa

doi:10.1016/j.ica.2016.09.033

Cited by 45 publications

(32 citation statements)

References 65 publications

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“…By our simplified ansatz of a nearly decoupled PES, we get again straight lines for the BBP curves in all coordinates, except for the angles α where no BBP exists under the ansatz of Equation (19). With the given constants we further assume that the y-bond is the weakest bond.…”

Section: Case Of a Planar 4-atomic Abba Molecule With C 2 H Symmetrymentioning

confidence: 96%

“…where M AA (x) and M BB (y) correspond to the functions M 1 (x) and M 2 (y) of Equation (6), respectively. The function M AB (z) is that given in Equation (20), and W BBA (β) and W ABB (α) are defined in Equations (19). Finally, the used constants are…”

Section: Case Of a Planar 4-atomic Abba Molecule With C 2 H Symmetrymentioning

confidence: 99%

“…The study of how external mechanical forces change the potential energy surfaces (PES) of molecular systems is of highest relevance in the context of mechanochemistry because this can lead to a better understanding of the molecular level of the mechanisms by which external forces control chemical processes. In the last years, the chemical response of single molecules, polymers, covalent inorganic crystals, metals, molecular solids, and so forth when subjected to mechanical forces has motivated experimental and theoretical researches . Chemical reactions can be thought of in terms of their “landscapes”—multidimensional PESes with a dimension much higher than three dimensions of our usual space—that map the saddle‐pathways and valleys of the potential energy as molecules interact .…”

Section: Introductionmentioning

confidence: 99%

“…In the last years, the chemical response of single molecules, polymers, covalent inorganic crystals, metals, molecular solids, and so forth when subjected to mechanical forces has motivated experimental and theoretical researches. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] Chemical reactions can be thought of in terms of their "landscapes"-multidimensional PESes with a dimension much higher than three dimensions of our usual space-that map the saddle-pathways and valleys of the potential energy as molecules interact. [21] In 2008, Lourderaj et al [22] calculated the PES of stretched n-butane.…”

Section: Introductionmentioning

confidence: 99%

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Toward a theory of mechanochemistry: Simple models from the very beginnings

Quapp

Bofill

Ribas‐Ariño

2018

Int J of Quantum Chemistry

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A core idea in the context of mechanochemistry is that applying an external tensile force along a reaction coordinate should enhance the chemical reaction of interest. Here, we analyze perturbed generic molecular structures: schematic models of triatomics, ABC, and tetraatomics, AABB. They are used to demonstrate that pulling does usually not use the “reaction coordinate,” but opens new reaction pathways. Within development of these models we use the concept of Newton trajectories for a theory of mechanochemistry. However, we find cases where the theory of Newton trajectories is not applicable. For all cases, we define the curve of force‐displaced stationary points, and we discuss the importance of barrier breakdown points and valley‐ridge inflection points. The examples use Morse potentials for bonds and simple angle functions and are demonstrated by assumed real values for the potential parameters. On the basis of the systematic study of some generic models we explain a set of already observed experimental mechanochemical phenomena in specific molecular systems and we apply the results to the strength of chemical bonds.

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Section: Case Of a Planar 4-atomic Abba Molecule With C 2 H Symmetrymentioning

confidence: 96%

Section: Case Of a Planar 4-atomic Abba Molecule With C 2 H Symmetrymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Toward a theory of mechanochemistry: Simple models from the very beginnings

Quapp

Bofill

Ribas‐Ariño

2018

Int J of Quantum Chemistry

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“…Bismuth‐based CPs remain poorly explored, but become increasingly popular in a form of homoleptically enclosed metal centers due to their sufficiently broad range of potential applications. Therefore, some discrete complexes and CPs have been reported as potential bioactive (biocidic, antidiarrheal and antacid), or bioneutral compounds, gas sorption, luminescent and catalytic materials. In the absence of d‐ or f‐block electrons, Bi III ‐based compounds are transparent in the visible region of the electromagnetic spectrum, whose is highly desirable for its use as stable laser beam modulators, Q‐switches and mode‐lockers with the most spectrometers and devices equipped with laser source.…”

Section: Introductionmentioning

confidence: 99%

A Nonlinear Optically Active Bismuth–Camphorate Coordination Polymer

et al. 2018

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The novel 2D bismuth-camphorate IEF-1, formulated as [Bi(L)(HL)] (where H 2 L = camphoric acid), has been successfully isolated as large single crystals and easily scaled up by hydrothermal synthesis. The crystalline structure of IEF-1 was unveiled by single-crystal X-ray diffraction, in the monoclinic space group P2 1 , and fully characterized by using several standard solid-state techniques. IEF-1 material is thermally stable up [a] Advanced Porous

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Greening the Processes of Metal–Organic Framework Synthesis and their Use in Sustainable Catalysis

2017

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Given the shortage of sustainable resources and the increasingly serious environmental issues in recent decades, the demand for clean technologies and sustainable feedstocks is of great interest to researchers worldwide. With regard to the fields of energy saving and environmental remediation, the key point is the development of efficient catalysts, not only in terms of facile synthesis methods, but also the benign utilization of such catalysts. This work reviews the use of metal-organic frameworks (MOFs) and MOF-based materials in these fields. The definition of MOFs and MOF-based materials will be primarily introduced followed by a brief description of the characterization and stability of MOF-related materials under the applied conditions. The greening of MOF synthesis processes will then be discussed and catalogued by benign solvents and conditions and green precursors of MOFs. Furthermore, their suitable application in sustainable catalysis will be summarized, focusing on several typical atom-economic reactions, such as the direct introduction of H or O and C-C bond formation. Approaches towards reducing CO emission by MOF-based catalysts will be described with special emphasis on CO fixation and CO reduction. In addition, driven by the explosive growth of energy consumption in the last century, much research has gone into biomass, which represents a renewable alternative to fossil fuels and a sustainable carbon feedstock for chemical production. The advanced progress of biomass-related transformations is also illustrated herein. Fundamental insights into the nature of MOF-based materials as constitutionally easily recoverable heterogeneous catalysts and as supports for various active sites is thoroughly discussed. Finally, challenges facing the development of this field and the outlook for future research are presented.

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Mechanochemistry – A green synthetic methodology leading to metallodrugs, metallopharmaceuticals and bio-inspired metal-organic frameworks

Cited by 45 publications

References 65 publications

Toward a theory of mechanochemistry: Simple models from the very beginnings

Toward a theory of mechanochemistry: Simple models from the very beginnings

A Nonlinear Optically Active Bismuth–Camphorate Coordination Polymer

Greening the Processes of Metal–Organic Framework Synthesis and their Use in Sustainable Catalysis

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