Sharif Digital Repository

A five-coordinated Fe(III) complex with the distorted trigonal bipyramidal configuration was synthesized by reactions of FeCl36H2O and 2-(2′-hydroxyphenyl)oxazoline (Hphox) as a bidentate ON donor oxazoline ligand. Complex [Fe(phox)2Cl] was fully characterized, including by single-crystal X-ray structure analysis. DFT calculations were accompanied with experimental results in order to obtain a deeper insight into the electronic structure and vibrational normal modes of complex. Oxidation of sulfides to sulfoxides in one-step was conducted by this complex as catalyst using urea hydrogen peroxide (UHP) in mixture of CH2Cl 2/CH3OH (1:1) under air at room temperature. The results show that using... 

We revisit the mathematical formulation of the famous Jaynes-Cummings-Paul Hamiltonian, which describes the interaction of a two-level atom with a single mode of an electromagnetic cavity reservoir. We rigorously show that under the condition of ultrastrong coupling between the atom and cavity in which the transition frequency is comparable to the coupling frequency, the bosonic field operators undergo non-sinusoidal time variations. As a result, the well-known solutions to the Jaynes-Cummings-Paul model are no longer valid, even when the rotating wave approximation is not used. We show how a correct mathematical solution could be found instead  

The interaction of quantum radiation and a two-level atom is described in the context through the Jaynes-Cummings-Paul Hamiltonian which is obtained through Heisenberg's interaction picture of the Atom-Radiation Hamiltonian. We argue that such a transformation is not mathematically exact in case of ultrastrong coupling, where the coupling rate is comparable to the transition frequency, and leads to erroneous results. In addition, we introduce an exact mathematical solution to calculate optical spectrum of this system  

The reaction of Fe(acac)3 and 2-(2′-hydroxyphenyl)oxazoline (Hphox) as a bidentate O,N donor ligand afforded a six-coordinated iron(III) complex [Fe(phox)2(acac)] with distorted octahedral configuration. The complex was isolated as an air-stable crystalline solid and characterized by elemental analysis, FTIR, solution electrical conductivity, and by single-crystal X-ray structure analysis. The structure, electronic properties, and vibrational normal modes of the complex were investigated by DFT. The use of this complex as a catalyst for the oxidation of sulfides to their corresponding sulfoxides using urea hydrogen peroxide as the primary oxidant was investigated. The catalyst shows very...