Publications associées à Dissociative substitution

Understanding How Ligand Functionalization Influences CO2 and N-2 Adsorption in a Sodalite Metal-Organic Framework

Michele Ceriotti, Wendy Lee Queen, Pascal Alexander Schouwink, Mehrdad Asgari, Olga Trukhina, Ilia Kochetygov, Rocio Semino Barbaresi

In this work, a detailed study is conducted to understand how ligand substitution influences the CO, and N-2 adsorption properties of two highly crystalline sodalite metal-organic frameworks (MOFs) known as Cu-BTT (BTT-3 = 1,3,5-benzenetristetrazolate) and ...

AMER CHEMICAL SOC2020

Principal Descriptors of Ionic Liquid Co-catalysts for the Electrochemical Reduction of CO2

Mohammad Khaja Nazeeruddin, Paul Joseph Dyson, Serhii Shyshkanov, Dmitry Vasilyev, Erfan Shirzadi

Electrochemical reduction of carbon dioxide (CO2RR) is promoted by ionic liquid (IL) co-catalysts, and several mechanisms have been proposed to explain their role. Due to the complexity of the CO2RR and the limited number of active IL co-catalysts, a conse ...

AMER CHEMICAL SOC2020

Stabilization of the Oxidation State plus IV in Siloxide-Supported Terbium Compounds

Rosario Scopelliti, Marinella Mazzanti, Ivica Zivkovic

The synthesis of lanthanides other than cerium in the oxidation state +IV has remained a desirable but unmet target until recently, when two examples of Tb-IV with saturated coordination spheres were isolated. Here we report the third example of an isolate ...

2020

Getting the Right Grip? How Understanding Electrophile Selectivity Profiles Could Illuminate Our Understanding of Redox Signaling

Yimon Aye, Lingxi Wang

Recent Advances: Herein, we focus on the first step of this process, electrophile sensing. Electrophile sensing is typically a deceptively simple reaction between the thiol of a protein cysteine, of which there are around 200,000 in the human proteome, and ...

MARY ANN LIEBERT, INC2019

Quantum Chemical Study of the Water Exchange Mechanism of the Americyl(VI) Aqua Ion

François Rotzinger, Alberto Fabrizio

The water exchange reaction of the americyl(VI) aqua ion was investigated with quantum chemical methods, density functional theory (DFT), and wave function theory (WFT). Associative and dissociative substitution mechanisms were studied, whereby DFT produce ...

American Chemical Society2016

Water Exchange on [Ln(DO3A)(H2O)2] and [Ln(DTTA–Me)(H2O)2]− Studied by Variable Temperature, Pressure, and Magnetic Field NMR

Lothar Helm, Shima Karimi

Water exchange kinetics of [Ln(L)(H2O)2]x complexes (Ln = Pr, Nd, Dy, Tm, and Yb; L = DO3A and DTTA–Me) were studied by 17O NMR spectroscopy as a function of temperature, pressure, and frequency and by 1H nuclear magnetic relaxation dispersion. Water excha ...

American Chemical Society2016

Complexation of [Gd(DTTA–Me)(H2O)2]− by Fluoride and Its Consequences to Water Exchange

Lothar Helm, Loïck Moriggi, Shima Karimi, Gail Ruth Hunter

The displacement of water molecule(s) from the inner coordination sphere of [Gd(DTTA–Me)(H2O)2]− (DTTA = ethylenetriamine-N,N,N″,N″-tetraacetate) by fluoride has been studied by multinuclear NMR relaxation (1H, 17O, 19F) and DFT calculations. Fluoride anio ...

American Chemical Society2016

Strategies for Tuning Emission Energy in Phosphorescent Ir(III) Complexes

Mohammad Khaja Nazeeruddin, Aron Joel Huckaba

. Research into phosphorescent Ir(III) complexes has grown immensely since their first report. Talented chemists have successfully synthesized complexes capable of emitting from the UV to the near-IR regions of the electromagnetic spectrum. Tuning the emis ...

Taylor & Francis2016

Evaluation of Water Exchange Kinetics on [Ln(AAZTAPh–NO2)(H2O)q]x Complexes Using Proton Nuclear Magnetic Resonance

Lothar Helm, Shima Karimi

Water exchange kinetics on [Ln(AAZTAPh–NO2)(H2O)q]− (Ln = Gd3+, Dy3+, or Tm3+) were determined by 1H nuclear magnetic resonance (NMR) measurements. The number of inner-sphere water molecules was found to change from two to one when going from Dy3+ to Tm3+. ...

American Chemical Society2016

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Dissociative substitution

Gas/Surface reactions probed by reflection absorption infrared spectroscopy

Understanding How Ligand Functionalization Influences CO2 and N-2 Adsorption in a Sodalite Metal-Organic Framework

Principal Descriptors of Ionic Liquid Co-catalysts for the Electrochemical Reduction of CO2

Stabilization of the Oxidation State plus IV in Siloxide-Supported Terbium Compounds

Getting the Right Grip? How Understanding Electrophile Selectivity Profiles Could Illuminate Our Understanding of Redox Signaling

Quantum Chemical Study of the Water Exchange Mechanism of the Americyl(VI) Aqua Ion

Water Exchange on [Ln(DO3A)(H2O)2] and [Ln(DTTA–Me)(H2O)2]− Studied by Variable Temperature, Pressure, and Magnetic Field NMR

Complexation of [Gd(DTTA–Me)(H2O)2]− by Fluoride and Its Consequences to Water Exchange

Strategies for Tuning Emission Energy in Phosphorescent Ir(III) Complexes

Evaluation of Water Exchange Kinetics on [Ln(AAZTAPh–NO2)(H2O)q]x Complexes Using Proton Nuclear Magnetic Resonance

Graph Chatbot

Chattez avec Graph Search

Gas/Surface reactions probed by reflection absorption infrared spectroscopy

Water Exchange on [Ln(DO3A)(H2O)2] and [Ln(DTTA–Me)(H2O)2]− Studied by Variable Temperature, Pressure, and Magnetic Field NMR

Principal Descriptors of Ionic Liquid Co-catalysts for the Electrochemical Reduction of CO2

Stabilization of the Oxidation State plus IV in Siloxide-Supported Terbium Compounds

Getting the Right Grip? How Understanding Electrophile Selectivity Profiles Could Illuminate Our Understanding of Redox Signaling

Quantum Chemical Study of the Water Exchange Mechanism of the Americyl(VI) Aqua Ion

Complexation of [Gd(DTTA–Me)(H2O)2]− by Fluoride and Its Consequences to Water Exchange

Strategies for Tuning Emission Energy in Phosphorescent Ir(III) Complexes

Understanding How Ligand Functionalization Influences CO2 and N-2 Adsorption in a Sodalite Metal-Organic Framework