Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
Results
Showing 1 to 7 of 7 for “"Transition Metal Complex"”.
-
Autonomous First-Principles Design of Transition Metal Complexes
Designing novel transition metal complexes (TMCs) holds immense potential for advancing sustainability and chemical synthesis. While high-throughput virtual screening (HTVS) workflows and density functional theory (DFT) have emerged as powerful tools for discovering new TMCs, exhaustive design …
-
Exploring Photocatalytic and Electrocatalytic Reduction of CO2 with Re(I) and Zn(II) Complexes and Attempts to Employ a Novel Carbene Ligand to this Endeavor
… synthesized Zn(II) phosphino aminopyridine complexes are structurally and computationally characterized as well as observed to function as unprecedented electrocatalysts for the reduction of CO2 to formic acid and CO. Lastly, with the importance and popularity of N-heterocyclic carbenes …
-
Studies of Complexes of Potential Catalytic Uses
The importance of studying transition metal organonitrile complexes in order to determine how to achieve the activation of a nitrile is discussed. Two transition metal complex systems were selected based on their proven ability to react with dinitrogen and on the grounds of their potential use in …
-
The adsorption of phenolic and organotin compounds by clays and cation exchanged clays
… and 2,4,6-trichlorophenol are documented. Transition metal complex exchanged clays adsorb 2,4,6-trichlorophenol and phenol. Strong adsorbate-adsorbent interactions (Type I isotherms) occur when the adsorbate is 2,4,6-trichlorophenol and when the adsorbent is [Fe(bipy)3]2+ exchanged …
-
Interplay of Transition Metals and Noncovalent Interactions in C–H Activation Catalysis
… the interplay of noncovalent interactions and transition metals in C–H activation catalysis using quantum mechanical simulations. We employ density functional theory (DFT) and wavefunction theory to perform an extensive computational study of protein HB interactions and transition metal complex …
-
Cyanoscorpionates and Transition Metal Complexes.
… synthesized. Isolated crystals of the thallium complex were collected and structurally characterized by X-ray diffraction. Transition metal complexes of the ligand are currently under investigation.</p>
-
Chemomechanics of self-oscillating gels
… due to the changing oxidation state of Ru(bpy)3 transition metal complex. By measuring temperature profiles of the BZ gel, we showed that the swelling behavior and hydrophobicity of the gel depend on the oxidation state of covalently bound Ru(bpy) 3 . Using timelapse microscopy, we recorded the …