Imidazole is a planar, five membered heteroaromatic molecule with pyrrole type and pyridine type annular nitrogens. Several approaches are available of imidazoles from alpha halo ketones, aminonitrile, aldehyde ect. Reactivity of imidazole and benzimidazole is referred from sets of  resonance structure in which the dipolar contributors have finite importance. Imidazoles among the principal grou...

Based on the bulkiness of the iodine atom, a non-planar conformation was expected for the title compound. Instead, its molecular structure is planar, as experimentally determined using single crystal X-ray diffraction, and confirmed theoretically by DFT calculations on the single molecule and the halogen pair paired molecules, therefore ruling out crystal packing forces as a principal factor le...

We report a series of stiff dendrimers (referred to as T1, T2, T3, and T4) that have both gigantic two-photon absorption (TPA) cross sections up to 25,000 GM and strong two-photon excited fluorescence (TPEF) with fluorescence quantum yield of ∼0.5. The large TPA cross sections and high quantum yields of these dendrimers are directly related to their geometrical structures, where the polycyclic ...

Polycyclic aromatic hydrocarbons (PAHs) are abundant in many regions of the Universe, representing a major reservoir for cosmic carbon. However, their formation pathways cold space remain elusive. Recent astronomical detections show that current astrochemical models drastically underestimate abundance molecules and suggest additional such as ion–molecule reactions need to be considered. Here we...

The plasma membrane of eukaryotic cells contains several types of lipids displaying high biochemical variability in both their apolar moiety (e.g., the acyl chain of glycerolipids) and their polar head (e.g., the sugar structure of glycosphingolipids). Among these lipids, cholesterol is unique because its biochemical variability is almost exclusively restricted to the oxidation of its polar -OH...

A novel nitrogen-doped corannulene derivative, 8-tert-butyl-6b(2) -azapentabenzo[bc,ef,hi,kl,no]corannulene, was synthesized by 1,3-dipolar cycloaddition of a polycyclic aromatic azomethine ylide with a diarylethyne and subsequent palladium-catalyzed intramolecular cyclization. This molecule represents the first example of a corannulene derivative bearing an internal heteroatom, and exhibits un...

We designed and studied hydrocarbon model compounds by high-resolution noncontact atomic force microscopy. In addition to planar polycyclic aromatic moieties, these novel model compounds feature linear alkyl and cycloaliphatic motifs that exist in most hydrocarbon resources - particularly in petroleum asphaltenes and other petroleum fractions - or in lipids in biological samples. We demonstrate...

The graph isomorphism problem belongs to the class of NP problems, and has been conjectured intractable, although probably not NP-complete. However, in the context of chemistry, because molecules are a restricted class of graphs, the problem of graph isomorphism can be solved efficiently (i.e., in polynomial-time). This paper presents the theoretical results that for all molecules, the problems...

Planar polycyclic aromatic hydrocarbons (PAHs) are candidates for the diffuse interstellar band (DIB) carriers. Nanometer-size Fe metallic particles, expected to be present during astrophysical graphite growth, are catalytic for formation of a related species—large tubular PAH molecules. We propose that tubular PAH molecules are a component of the interstellar medium. Electronic structure calcu...