Computational Study of Small Molecule Activation via Low-coordinate Late First-row Transition Metal Complexes
نویسندگان
چکیده
Thomas R. Cundari, Major Professor Martin Schwartz, Committee Member Weston T. Borden, Committee Member Angela K. Wilson, Committee Member and CoDirector, Center for Advanced Scientific Computing and Modeling Christopher A. Bradley, Committee Member William E. Acree, Jr., Chair of the Department of Chemistry Michael Monticino, Dean of the Robert B. Toulouse School of Graduate Studies COMPUTATIONAL STUDY OF SMALL MOLECULE ACTIVATION VIA
منابع مشابه
Microsoft Word - abstract.docx
Metal–metal bonds have been an interesting topic for many decades due to the fundamental studies in bonding properties, as well as potential applications in small molecule activation processes. Much of what is known about this area is mainly based on 2 and 3 row transitional metals. Understanding of the bonding behavior between first-row transition metals, however, is lacking due to the synthet...
متن کاملNew insights into small molecule activation by acyclic silylenes: a computational investigation.
Recently synthesized acyclic silylenes have the potential to rival transition metal complexes in performing single site small molecule activation, which is significant because of the need to find cheap and green alternatives to transition metal complexes for this important class of reactions. However, the current computational study, a full quantum chemical investigation with density functional...
متن کاملNew tripodal N-heterocyclic carbene chelators for small molecule activation
In an effort to develop new tripodal N-heterocyclic carbene (NHC) ligands for small molecule activation, two new classes of tripodal NHC ligands TIME and TIMEN have been synthesized. The carbon-anchored tris(carbene) ligand system TIME (R = Me, t-Bu) forms bior polynuclear metal complexes. While the methyl derivative exclusively forms trinuclear 3:2 complexes [(TIME)2M3] 3+ with group 11 metal ...
متن کاملThe Pioneering Mark E. Vol'pin: Toward Small Molecule Activation
This article summarizes the life and work of an eminent Russian scientist Mark Vol′pin. He pioneered small molecule activation chemistry by transition metal complexes including fixing atmospheric dinitrogen molecule under mild conditions. The life and work of Vol′pin in erstwhile Soviet Union is discussed. Keywords—Small Molecule, Nitrogen; Activation, Metal Complex
متن کاملDesign 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 ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2010