☆ 4.8 Article

Following a Silent Metal Ion: A Combined X-ray Absorption and Nuclear Magnetic Resonance Spectroscopic Study of the Zn2+ Cation Dissipative Translocation between Two Different Ligands

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2022)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Chemistry, Multidisciplinary

Two Faces of the Same Coin: Coupling X-Ray Absorption and NMR Spectroscopies to Investigate the Exchange Reaction Between Prototypical Cu Coordination Complexes

Daniele Del Giudice et al.

Summary: This study combines X-Ray Absorption and H-1 NMR spectroscopies with Multivariate Curve Resolution and theoretical analyses to comprehensively investigate a prototypical reaction involving the variation of oxidation state and local structure environment of a metal ion coordinated by organic ligands. The interdisciplinary approach provides insights into the nature, concentration time evolution, and structures of key metal and organic species during the reaction process. This method may prove to be a valuable tool in understanding reactive processes of interest in solution.

CHEMISTRY-A EUROPEAN JOURNAL (2022)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Accurate X-ray Absorption Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional Theory

Lukas Konecny et al.

Summary: The study demonstrates the successful application of linear damped response time-dependent density functional theory based on a four-component Dirac-Coulomb Hamiltonian for simulating X-ray absorption spectra accurately. The influence of exchange-correlation functional and Hartree-Fock exchange on the accuracy of the calculated spectra is highlighted, with the optimal value for spectral regions above 1000 eV being 60%. Overall, the methodology proves to be reliable for calculating and analyzing X-ray absorption spectra, providing a reference for benchmarking more approximate techniques.

INORGANIC CHEMISTRY (2022)

添加到收藏夹

Review Chemistry, Multidisciplinary

Chemically Fueled Self-Assembly in Biology and Chemistry

Krishnendu Das et al.

Summary: Life is a non-equilibrium state of matter sustained by energy expenditure, mostly utilizing chemical energy stored in molecules. Understanding the transfer of chemical energy to biochemical processes is crucial for developing artificial systems with life-like processes. Strategies for controlling the structural organization of organic molecules have been identified based on distinguishable physical-organic foundations, with examples from biology and chemistry illustrating their practical implementation and unique opportunities.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

添加到收藏夹

Article Chemistry, Physical

Solubilization properties and structural characterization of dissociated HgO and HgCl2 in deep eutectic solvents

Valentina Migliorati et al.

Summary: This study utilizes a synergic approach combining XANES, EXAFS spectroscopies, and QM calculations to investigate the solvation properties of HgCl2 and HgO in DESs. The experimental results show that Hg2+ forms a tetrahedral complex with four chloride ions in DESs, indicating strong interactions between Cl- anions and Hg2+.

JOURNAL OF MOLECULAR LIQUIDS (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Multitasking with Chemical Fuel: Dissipative Formation of a Pseudorotaxane Rotor from Five Distinct Components

Amit Ghosh et al.

Summary: A rotor design based on a pseudorotaxane structure was successfully operated using a chemical fuel to generate rotational motion, achieving three reproducible pulses. The study highlights the complexity of chemical fuels in multitasking applications.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Supramolecular Regulation of Catalytic Activity for an Amphiphilic Pyrene-Ruthenium Complex in Water

Nan Dai et al.

Summary: A switchable catalytic system was designed and constructed based on host-guest interaction between cucurbituril (CB) and amphiphilic metal complex pyrene-ruthenium (Py-Ru). The system allows for enhanced catalytic efficiency in water, which can be altered by forming an inclusion complex with CB. This supramolecular strategy provides an efficient and flexible method for constructing reversible catalytic system.

CHEMISTRY-A EUROPEAN JOURNAL (2021)

添加到收藏夹

Article Chemistry, Physical

Catching the Reversible Formation and Reactivity of Surface Defective Sites in Metal-Organic Frameworks: An Operando Ambient Pressure-NEXAFS Investigation

Luca Braglia et al.

Summary: In this study, the location, structural properties, and reactivity of defective sites in the metal-organic framework HKUST-1 were investigated using ambient pressure operando soft X-ray absorption spectroscopy. The formation of Cu+ defective sites and characterization of Cu+/Cu2+ dimeric complexes arising from temperature treatment were reported. Furthermore, reversible adsorption and desorption of CO2 on the surface defective Cu+/Cu2+ sites were demonstrated.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Off-Equilibrium Speed Control of a Multistage Molecular Rotor: 2-Fold Chemical Fueling by Acid or Silver(I)

Abir Goswami et al.

Summary: The study demonstrates that driving conformational motion in defined off-equilibrium oscillations can be achieved using chemical fuels. Different rotors can be formed in ultrafast timescales by adding different fuels to the turnstile, and rotor conversions can be facilitated by consequentially triggered reactions, which can be monitored by fluorescence and NMR techniques. Additionally, metal ion exchange can be fueled to enable off-equilibrium oscillations between different rotors, ultimately increasing sustainability and efficiency of the process.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)

添加到收藏夹

Article Chemistry, Physical

Activation of C-H bonds by a nonheme iron(iv)-oxo complex: mechanistic evidence through a coupled EDXAS/UV-Vis multivariate analysis

Francesco Tavani et al.

Summary: The understanding of reactive processes involving organic substrates is crucial and requires multidisciplinary efforts. By applying a combined multivariate, statistical and theoretical analysis approach, detailed mechanistic information can be obtained for chemical reactions, enabling the structural determination of transient intermediate species and investigation of redox chemical transformations.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Direct structural and mechanistic insights into fast bimolecular chemical reactions in solution through a coupled XAS/UV-Vis multivariate statistical analysis

Francesco Tavani et al.

Summary: This study utilizes time-resolved coupled X-ray Absorption Spectroscopy (XAS) and UV-Vis data to obtain detailed mechanistic and structural information on bimolecular chemical reactions occurring in solution on the second to millisecond time scales. The innovative method is applied to investigate the sulfoxidation of p-cyanothioanisole and p-methoxythioanisole by the nonheme Fe-IV oxo complex [N4Py center dot Fe-IV(O)](2+) in acetonitrile at room temperature. Statistical and multivariate techniques are employed to determine the number of key chemical species involved and derive spectral and concentration profiles for the reaction intermediates.

DALTON TRANSACTIONS (2021)

添加到收藏夹

Article Computer Science, Interdisciplinary Applications

PyFitit: The software for quantitative analysis of XANES spectra using machine-learning algorithms

A. Martini et al.

COMPUTER PHYSICS COMMUNICATIONS (2020)

添加到收藏夹

Review Chemistry, Multidisciplinary

Abiotic Chemical Fuels for the Operation of Molecular Machines

Chiara Biagini et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Reversible Multicomponent AND Gate Triggered by Stoichiometric Chemical Pulses Commands the Self-Assembly and Actuation of Catalytic Machinery

Pronay Kumar Biswas et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Time Programmable Locking/Unlocking of the Calix[4]arene Scaffold by Means of Chemical Fuels

Daniele Del Giudice et al.

CHEMISTRY-A EUROPEAN JOURNAL (2020)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Direct Mechanistic Evidence for a Nonheme Complex Reaction through a Multivariate XAS Analysis

Francesco Tavani et al.

INORGANIC CHEMISTRY (2020)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Probing a Silent Metal: A Combined X-ray Absorption and Emission Spectroscopic Study of Biologically Relevant Zinc Complexes

Olivia McCubbin Stepanic et al.

INORGANIC CHEMISTRY (2020)

添加到收藏夹

Review Chemistry, Organic

Using multiple self-sorting for switching functions in discrete multicomponent systems

Amit Ghosh et al.

BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY (2020)

添加到收藏夹

Article Chemistry, Physical

Multivariate curve resolution analysis of operando XAS data for the investigation of the lithiation mechanisms in high entropy oxides

Francesco Tavani et al.

CHEMICAL PHYSICS LETTERS (2020)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Allosteric regulation of rotational, optical and catalytic properties within multicomponent machinery

Suchismita Saha et al.

DALTON TRANSACTIONS (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Dissipative Catalysis with a Molecular Machine

Chiara Biagini et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)

添加到收藏夹

Article Chemistry, Organic

2-Cyano-2-phenylpropanoic Acid Triggers the Back and Forth Motions of an Acid-Base-Operated Paramagnetic Molecular Switch

Paola Franchi et al.

JOURNAL OF ORGANIC CHEMISTRY (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Switching Dual Catalysis without Molecular Switch: Using A Multicomponent Information System for Reversible Reconfiguration of Catalytic Machinery

Abir Goswami et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Time-Dependent Pulses of Lithium Ions in Cascaded Signaling and Out-of-Equilibrium (Supra)molecular Logic

Amit Ghosh et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Coupled X-ray Absorption/UV-vis Monitoring of Fast Oxidation Reactions Involving a Nonheme Iron-Oxo Complex

Giorgio Capocasa et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Controlling the preferential motion of chiral molecular walkers on a surface

David Abbasi-Perez et al.

CHEMICAL SCIENCE (2019)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

The influence of ZnII coordination sphere and chemical structure over the reactivity of metallo-β-lactamase model compounds

Eduardo Guimaraes Ratier de Arruda et al.

DALTON TRANSACTIONS (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Variations in the fuel structure control the rate of the back and forth motions of a chemically fuelled molecular switch

Chiara Biagini et al.

CHEMICAL SCIENCE (2018)

添加到收藏夹

Article Chemistry, Multidisciplinary

Coupling of the Decarboxylation of 2-Cyano-2-phenylpropanoic Acid to Large-Amplitude Motions: A Convenient Fuel for an Acid-Base-Operated Molecular Switch

Jose Augusto Berrocal et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)

添加到收藏夹

Article Chemistry, Multidisciplinary

Spectroscopic Evidence for a 3d10 Ground State Electronic Configuration and Ligand Field Inversion in [Cu(CF3)4]1-

Richard C. Walroth et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)

添加到收藏夹

Article Chemistry, Multidisciplinary

A Small Molecule Walks Along a Surface Between Porphyrin Fences That Are Assembled In Situ

Sam Haq et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

Probing CuI in homogeneous catalysis using high-energy-resolution fluorescence-detected X-ray absorption spectroscopy

Richard C. Walroth et al.

CHEMICAL COMMUNICATIONS (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

Directional Dynamic Covalent Motion of a Carbonyl Walker on a Polyamine Track

Petr Kovaricek et al.

CHEMISTRY-A EUROPEAN JOURNAL (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal-ligand interactions

Neil C. Tomson et al.

CHEMICAL SCIENCE (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

Toward Metal Complexes That Can Directionally Walk Along Tracks: Controlled Stepping of a Molecular Biped with a Palladium(II) Foot

Jonathon E. Beves et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)

添加到收藏夹

Article Chemistry, Multidisciplinary

Merging Constitutional and Motional Covalent Dynamics in Reversible Imine Formation and Exchange Processes

Petr Kovaricek et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

添加到收藏夹

Article Materials Science, Multidisciplinary

Time-dependent density functional theory applied to x-ray absorption spectroscopy

Oana Bunau et al.

PHYSICAL REVIEW B (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

The ORCA program system

Frank Neese

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

添加到收藏夹

Review Chemistry, Multidisciplinary

Walking molecules

Max von Delius et al.

CHEMICAL SOCIETY REVIEWS (2011)

添加到收藏夹

Article Chemistry, Physical

High-Field Solid-State 67Zn NMR Spectroscopy of Several Zinc-Amino Acid Complexes

Kamal H. Mroue et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2010)

添加到收藏夹

Article Chemistry, Multidisciplinary

In situ investigation of the oxidative addition in homogeneous Pd catalysts by synchronised time resolved UV-Vis/EXAFS

Gemma Guilera et al.

CHEMICAL COMMUNICATIONS (2006)

添加到收藏夹

Review Chemistry, Inorganic & Nuclear

Characterization of spectroscopically quiet metals in biology

JE Penner-Hahn

COORDINATION CHEMISTRY REVIEWS (2005)

添加到收藏夹

Article Chemistry, Physical

Application of stopped flow techniques and energy dispersive EXAFS for investigation of the reactions of transition metal complexes in solution: Activation of nickel beta-diketonates to form homogeneous catalysts, electron transfer reactions involving iron(III) and oxidative addition to iridium(I)

MBBA Rahman et al.

FARADAY DISCUSSIONS (2003)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.