Yavuz S. Ceylan
University of North Texas
6 Papers
29 Citations
Yavuz S. Ceylan is an academic researcher from University of North Texas. The author has contributed to research in topics: Reductive elimination & Natural bond orbital. The author has an hindex of 4, co-authored 6 publications. Previous affiliations of Yavuz S. Ceylan include Brandeis University.
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Papers
Heterobimetallic Silver–Iron Complexes Involving Fe(CO)5 Ligands
TL;DR: The work reported here illustrates that Fe(CO)5 can also act as a ligand and shows that it is possible to manipulate the coordination sphere at silver while keeping the Ag-Fe bond intact.
25
Direct Anti-Markovnikov Addition of Water to Olefin To Synthesize Primary Alcohols: A Theoretical Study
TL;DR: The origin of the regioselectivity (Markovnikov vs Markovnikov) was analyzed by means of studying the molecular orbitals, plus natural atomic charges, and shown to be primarily orbital-driven rather than charge-driven.
11
Hydride- and halide-substituted Au9(PH3)83+ nanoclusters: similar absorption spectra disguise distinct geometries and electronic structures.
TL;DR: In this paper, the interactions of halide and hydride ligands with phosphine-protected gold clusters via theoretical investigations have been investigated and the computed absorption spectra using time-dependent density functional theory are in reasonable agreement with the experimental spectra, confirming that the computational methods are capturing the ligand-metal interactions accurately.
4
Comparison of PdII vs RhI-catalyzed catalytic cycle for single step styrene production
TL;DR: In this article, the authors used density functional theory (DFT) to model styrene production by a (FlDAB)PdII(TFA)(η2-C2H4) complex, which was studied via five mechanisms, which were oxidative addition/reductive elimination, sigma-bond metathesis, and concerted metalation deprotonation (CMD).
3
Computational Analysis of Transition Metal-Terminal Boride Complexes
TL;DR: It is concluded that, for the boride complexes studied, covering a range of different 4d and 5d metals, that theMetal-boride bond consists of a reasonably covalent σ but two very polarized metal-boron π bonds.