A Mild and Efficient Tetrahydropyranylation of Alcohols

Triphenylphosphine (TPP)-iodotrimethylsilane (TMSI) was found to be a convenient and highly effective catalyst for the tetrahydropyranylation of aliphatic and aromatic alcohols with dihydropyran in dichloromethane at ambient temperature.     

Molecular Structure,Electronic Properties,Homo–Lumo,MEP and NBO Analysis of (N-Isocyanimino) Triphenylphosphorane (Ph3PNNC): DFT Calculations

Journal of Structural Chemistry - N-isocyaniminotriphenylphosphorane (Ph3PNNC) is a type of iminophosphorane which is an important reagent in synthetic organic chemistry and a ligand in metallic...     

Multistage homotopy perturbation method for nonlinear reaction networks

In this paper, we present the multistage homotopy perturbation method for finding the solution of the chemical kinetics with nonlinear reactions. We develop a general scheme for finding the analytic solution of chemical reaction networks and apply it to motivating chemical examples such as the enzyme kinetics model and the Brusselator model. We illustrate the numerical result for the models and show the accuracy of the method.     

Dispersion Stability of Fluorinated Multi-Walled Carbon Nanotubes in FC-27 Refrigerant

In order to achieve the dispersion stability of multi-walled carbon nanotubes (MWCNT) in a fluorinated refrigerant (FC-72) used in various cooling purposes, fluorinated MWCNT (MWCNT-F) was prepared by a combined process of oxidation and fluorination. As a fluorine source, (tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane was used to react with hydroxyl groups on MWCNT (MWCNT-OH) generated by chemical oxidation. Pristine MWCNT, MWCNT-OH, and MWCNT-F were dispersed in FC-72 and MWCNT-F was also dispersed in polar and nonpolar solvents. The MWCNT-F has excellent colloidal stability in FC-72 because of the chemical affinity between FC-72 and functional groups (-CF_n) on the side walls of MWCNT. Through surface modifications, we could obtain the enhanced dispersion stability of MWCNT in a refrigerant. This homogenous MWCNT solution in FC-72 may be used to increase the heat transfer in FC-72 based nanofluids.     

Cover Feature: How Many O-Donor Groups in Enterobactin Does It Take to Bind a Metal Cation? (Chem. Eur. J. 28/2019)

The E. coli siderophore enterobactin, the strongest Fe^III chelator known to date, forms hexacoordinate complexes with Si^IV, Ge^IV, and Ti^IV. Synthetic protocols have been developed to prepare non-symmetric enterobactin analogues with varying denticities. Various benzoic acid residues were coupled to the macrocyclic lactone to afford a diverse library of ligands. These enterobactin analogues were bound to Si^IV, Ge^IV, and Ti^IV, and the complexes were investigated through experimental and computational techniques. The binding behavior of the synthesized chelators enabled assessment of the contribution of each of the phenolic hydroxy groups in enterobactin to metal-ion complexation. It was found that at least four O-donors are needed for enterobactin derivatives to act as metal binders. Density functional theory calculations indicate that the strong binding behavior of enterobactin can be ascribed to a diminished translational entropy penalty, a common feature of the chelate effect, coupled with the structural arrangement of the three catechol moieties, which allows the triseryl base to be installed without distorting the preferred local metal-binding geometry of the catecholate ligands.     

Organic solar cells based on chlorine functionalized benzo[1,2-b:4,5-b′]difuran-benzo[1,2-c:4,5-c′]dithiophene-4,8-dione copolymer with efficiency exceeding 13%

Benzo[1,2-b:4,5-b′]dithiophene(BDT) has been widely used to construct donor-acceptor(D-A) copolymers in organic solar cells(OSCs). However, benzo[1,2-b:4,5-b′]difuran(BDF), an analogue of BDT, has received less attention than BDT. The photovoltaic performance of BDF copolymers has lagged behind that of BDT copolymers. Here, we designed and synthesized two BDF copolymers, PBF1-C and PBF1-C-2Cl. PBF1-C-2Cl, which is composed of BDF and benzo[1,2-c:4,5-c′]dithiophene-4,8-dione connected by a chlorinated thiophene π-bridge, displays a low-lying highest occupied molecular orbital energy level,which helps in yielding a high open-circuit voltage(V_(oc)) in OSCs. As a result, when blended with Y6, PBF1-C-2Cl-based devices showed a high V_(oc) of 0.83 V and a power conversion efficiency(PCE) of 13.10%. To the best of our knowledge, the PCE of 13.10% is among the highest efficiency values for OSCs based on BDF copolymers.