Triptycene-modified linkers of MOFs for methane sorption enhancement: A molecular simulation study

Волкова, Е.И.; Vakhrushev, A. V.; Suyetin, Mikhail

doi:10.1016/j.chemphys.2015.07.019

Cited by 13 publications

(11 citation statements)

References 45 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…A 1,3,5‐trisubstituted benzene was coupled with triptycene to incorporate rigid arms with two carboxylic acid moieties at the end of the chain. A MOF 271 was then created by complexing the triptycene system with CuO . This complex was studied computationally to investigate the effect triptycene has on methane adsorption properties.…”

Section: Applications Of Rigid‐linear Linkers In Molecular Rods and Rmentioning

confidence: 99%

“…AM OF 271 was then created by complexing the triptycene system with CuO. [331] This complex was studied computationally to investigate the effect triptycene has on methane adsorption properties. Calculations of methane adsorption properties werep erformed with Grand Canonical Monte Carlo simulations and showedf avorable results when compared to known MOFs of as imilar structure and topology.I twass howed that the methanea dsorption uptake was significantly enhanced on av olumetric basis with this complex 271.…”

Section: Metalorganic Framework (Mofs)mentioning

confidence: 99%

See 1 more Smart Citation

Nonconjugated Hydrocarbons as Rigid‐Linear Motifs: Isosteres for Material Sciences and Bioorganic and Medicinal Chemistry

Locke

Bernhard

Senge

2019

Chemistry A European J

184

143

View full text Add to dashboard Cite

Nonconjugated hydrocarbons, like bicyclo[1.1.1]pentane, bicyclo[2.2.2]octane, triptycene, and cubane are a unique class of rigid linkers. Due to their similarity in size and shape they are useful mimics of classic benzene moieties in drugs, so‐called bioisosteres. Moreover, they also fulfill an important role in material sciences as linear linkers, in order to arrange various functionalities in a defined spatial manner. In this Review article, recent developments and usages of these special, rectilinear systems are discussed. Furthermore, we focus on covalently linked, nonconjugated linear arrangements and discuss the physical and chemical properties and differences of individual linkers, as well as their application in material and medicinal sciences.

show abstract

Section: Applications Of Rigid‐linear Linkers In Molecular Rods and Rmentioning

confidence: 99%

Section: Metalorganic Framework (Mofs)mentioning

confidence: 99%

Nonconjugated Hydrocarbons as Rigid‐Linear Motifs: Isosteres for Material Sciences and Bioorganic and Medicinal Chemistry

Locke

Bernhard

Senge

2019

Chemistry A European J

184

143

View full text Add to dashboard Cite

show abstract

“…[7] The three-dimensional rigid triptycene frameworks have been used as building blocks towards stable 3D or 2D microporous polymers with high surface areas. [8] Triptycenes have also been successfully utilized in Metal Organic Framework (MOF) chemistry, [9,10] where, for example, diffusion-controlled rotation of triptycene was investigated in order to measure the viscosity of MOFconfined solvents. [11] The features of the functional triptycene-derived materials are mainly determined by the properties of the triptycene subunits concerned.…”

Section: Introductionmentioning

confidence: 99%

Blue‐Shift Hydrogen Bonds in Silyltriptycene Derivatives: Antibonding σ* Orbitals of the Si−C Bond as Effective Acceptors of Electron Density

et al. 2020

View full text Add to dashboard Cite

Triptycene derivatives are widely utilized in different fields of chemistry and materials sciences. Their physicochemical properties, often of pivotal importance for the rational design of triptycene‐based functional materials, are influenced by noncovalent interactions between substituents mounted on the triptycene skeleton. Herein, a unique interaction between electron‐rich substituents in the peri position and the silyl group located on the bridgehead sp3‐carbon is discussed on the example of 1,4‐dichloro‐9‐(p‐methoxyphenyl)‐silyltriptycene (TRPCl) which exists in solution in the form of two rotamers differing by dispositions, syn or anti, of the Si−CPh (the CPh atom is from the p‐methoxyphenyl group) bond against the peri‐Cl atom. For the first time, substantial differences between the Si−CPh bonds in these two dispositions are identified, based on indirect experimental and direct theoretical evidence. For these two orientations, the experimental 1J(Si,CPh) values differ by as much as 10 percent. The differences are explained in terms of effective electron density transfer from the peri‐Cl atom to the antibonding σ* orbitals of the Si−X bonds (X=H, CPh) oriented anti to that atom. The electronic effects are revealed by an NBO analysis. Connections of these observations with the notion of blue‐shifting hydrogen bonds are discussed.

show abstract

“…The field of coordination polymers has attracted considerable research interest as a consequence of their functional properties and potential applications in many scientific areas . Among the many potential applications that can be extrapolated from these properties are gas storage, molecular separation, chemical catalysis, sensing, ion exchange and drug delivery .…”

Section: Introductionmentioning

confidence: 99%

Three‐dimensional coordination polymers based on trimethyltin cation with nicotinic and isonicotinic acids as anticancer agents

Etaiw

Fayed

El‐bendary

et al. 2017

Applied Organom Chemis

View full text Add to dashboard Cite

Two new coordination polymers, namely [Me3Sn(INA)] (CP1) and [Me3Sn(NA)] (CP2), where INA = isonicotinic acid and NA = nicotinic acid, were characterized using infrared, UV–visible and NMR spectroscopies, thermogravimetric analysis and single‐crystal X‐ray analyses. The structure of CP1 consists of a one‐dimensional coordinated chain which is further extended creating a two‐dimensional layer via hydrogen bonds. The two‐dimensional layers propagate along the corresponding planes creating a three‐dimensional framework by hydrogen bonding and edge‐to‐face π–π stacking. The asymmetric unit of CP2 contains one tin atom and one NA ligand exhibiting 1:1 stoichiometry. The structure of CP2 extends through coordination bonds to form a one‐dimensional zigzag chain which further extends to create a three‐dimensional network via crossing chains and hydrogen bonds. The tin atoms acquire distorted trigonal bipyramid (TBPY‐5) geometry. CP1 and CP2 were designed to investigate their cytotoxic properties against various human cancer cell lines: hepatocellular carcinoma, mammary gland breast cancer, human prostate cancer and colorectal carcinoma. The compounds are good anticancer agents against the tested cell lines. Also they were screened for their antioxidant, anti‐haemolytic, antibacterial and antifungal activities.

show abstract

Triptycene-modified linkers of MOFs for methane sorption enhancement: A molecular simulation study

Cited by 13 publications

References 45 publications

Nonconjugated Hydrocarbons as Rigid‐Linear Motifs: Isosteres for Material Sciences and Bioorganic and Medicinal Chemistry

Nonconjugated Hydrocarbons as Rigid‐Linear Motifs: Isosteres for Material Sciences and Bioorganic and Medicinal Chemistry

Blue‐Shift Hydrogen Bonds in Silyltriptycene Derivatives: Antibonding σ* Orbitals of the Si−C Bond as Effective Acceptors of Electron Density

Three‐dimensional coordination polymers based on trimethyltin cation with nicotinic and isonicotinic acids as anticancer agents

Contact Info

Product

Resources

About