Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes

Theoretical studies of the first-row transition metal phosphides

Magnetic anisotropy in "scorpionate" first-row transition-metal complexes: a theoretical investigation.

In this work we have analyzed in detail the magnetic anisotropy in a series of hydrotris(pyrazolyl)borate (Tp(-)) metal complexes, namely [VTpCl](+), [CrTpCl](+), [MnTpCl](+), [FeTpCl], [CoTpCl], and [NiTpCl], and their substituted methyl and tert-butyl analogues with the goal of observing the effect of the ligand field on the magnetic properties. In the [VTpCl](+), [CrTpCl](+), [CoTpCl], and [...

Design Of First-Row Transition Metal Bis(alkoxide) Complexes And Their Reactivity Toward Nitrene And Carbene Transfer

DESIGN OF FIRST-ROW TRANSITION METAL BIS(ALKOXIDE) COMPLEXES AND THEIRREACTIVITY TOWARD NITRENE AND CARBENE TRANSFERbyJAMES A. BELLOWAugust 2016Advisor: Dr. Stanislav GroysmanMajor: Chemistry (Inorganic)Degree: Doctor of PhilosophyThe novel alkoxide ligand [OCtBu2Ph], or [OR], was synthesized in a single step as a lithium salt.It was then reacted ...

Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.

Reaction of the novel ligand 3-(2'-pyridyl)-benzo-1,2,4-thiadiazine (L) with the transition metal chloride salts MCl2·xH2O (M(II) = Mn, Fe, Co, Cu and Zn) in a 2 : 1 mole ratio afforded the mononuclear octahedral (high spin) complexes L2MCl2 (1a-1e respectively) in which L binds in a chelate fashion via N(2) and the pyridyl N atoms. In the case of CuCl2 the intermediate 1 : 1 four-coordinate co...

Terpyridine‐metal complexes of first row transition metals and electrochemical reduction of CO2 to CO