Synthesis and Properties of Aromatic Compounds

The electronic structure of the recently synthesized ($3\ifmmode\times\else\texttimes\fi{}3$) reconstructed silicene on ($4\ifmmode\times\else\texttimes\fi{}4$) Ag(111) is investigated by first-principles calculations. New states emerge due to the strong hybridization between silicene and Ag. Analyzing the nature and…

• SEYMUR JAHANGIROV

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• SÜLEYMAN EDİZ

Of the five small biradicaloid heterocycles whose S(1), S(2), T(1), and T(2) adiabatic excitation energies were examined by the CASPT2/ANO-L-VTZP method, two have been found to meet the state energy criterion for efficient singlet fission and are recommended to the attention of synthetic chemists and photophysicists.

• AKIN AKDAĞ

Silica or SiO(2), the main constituent of Earth's rocks has several 3D complex crystalline and amorphous phases, but it does not have a graphitelike layered structure in 3D. Our theoretical analysis and numerical calculations from the first principles predict a single-layer honeycomblike allotrope, hα silica, which ca…

• SEYMUR JAHANGIROV

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• ŞERİFE BURCU BOZKURT ALTINDAĞ

We report a computational study of mesoscale morphology and charge-transport properties of radially π-conjugated cycloparaphenylenes ([ n ]CPPs) of various ring sizes ( n = 5–12, where n is the number of repeating phenyl units). These molecules are considered structural constituents of fullerenes and carbon nanotubes.…

• İLHAN YAVUZ

A new type of water-soluble copper-containing polymer has been synthesized using the technique of subcomponent self-assembly. Copper(I)-directed imine bond formation between triethylene glycol functionalized 1,2-phenylenediamine and 2,9-diformylphenanthroline subcomponents resulted in the formation of a chain in which…

• DEMET ASİL ALPTEKİN

Cryptoannulenic behavior of cyclacenes has been investigated within the framework of Hückel molecular orbital theory. It has been found that the angle of total π-electron energy for cyclacenes, as it is the case for annulenes, alternatingly fluctuates within the series depending on the size and type of the peripheral…

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• EMRULLAH GÖRKEM GÜNBAŞ

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If G is a graph on n vertices, and di is the degree of its i-th vertex, then the Randic matrix of G is the square matrix of order n whose (i, j)-entry is equal to 1/ � di dj if the i-th and j-th vertex of G are adjacent, and zero otherwise. This matrix in a natural way occurs within Laplacian spectral theory, and prov…

• AHMET SİNAN ÇEVİK

A convergent, multistep protocol was employed for the synthesis of a Janus-type multivalent donor-acceptor system. The synthetic approach is based on a Sonogashira cross-coupling of two differently ferrocene-(Fc) substituted dendrons and a final sixfold [2 + 2] cycloaddition-retroelectrocyclization (CA-RE) reaction wi…

• ÇAĞATAY DENGİZ