Density function theory with B3LYP parameterization and 6-31++G(d,p) basis set has been used to investigate the structure and stability of many mono-substituted naphthalene molecules. The Molecular Electrostatic Surface Potential (MESP) topography for all the mono-substituted naphthalene molecules was obtained. It is shown that the nature of the substituent and its orientation in the molecule p...

The title compound, C(17)H(12)N(2), comprises a norbornane unit having a dicyanona-phthalene ring fused on one side. Both cyano groups are twisted slightly out of the plane of the naphthalene ring system [C-C-C-C torsion angle = 1.9 (2)°]. In the crystal, inversion-related mol-ecules are linked by pairs of weak C-H⋯N hydrogen bonds, forming dimers.

In the title compound, C22H16N2O6, the naphthalene ring systems form a dihedral angle of 65.2 (1)°. Two O atoms of one of the nitro groups are disordered over two sets of sites with occupancy factors of 0.586 (15) and 0.414 (15). Weak C-H⋯O inter-molecular inter-actions are present, forming a ladder like structure along the a axis.

AIMS To estimate exposures to benzene and naphthalene among military personnel working with jet fuel (JP-8) and to determine whether naphthalene might serve as a surrogate for JP-8 in studies of health effects. METHODS Benzene and naphthalene were measured in air and breath of 326 personnel in the US Air Force, who had been assigned a priori into low, moderate, and high exposure categories fo...

The Orion Multi-Purpose Crew Vehicle (MPCV) will use an ablative heat shield. To better design this heat shield and others that will undergo planetary entry, an improved understanding of the ablation process would be beneficial. Here, a technique developed at The University of Texas at Austin that uses planar laser-induced fluorescence (PLIF) of a low-temperature sublimating ablator (naphthalen...

BACKGROUND Polycyclic aromatic hydrocarbons (PAH) are both man-made and naturally occurring environmental pollutants that may be related to cardiometabolic health risk. OBJECTIVE To determine whether PAH is associated with obesity in the adult population and to examine whether urinary concentrations of PAH metabolites are associated with differences in how obesity relates to 3 or more risk fa...

The aim of this work was to correlate the textural and chemical features of carbonaceous adsorbents with the adsorption capacity of naphthalene from aqueous phase, at the concentration in which this compound is usually found in wastewater from coke ovens. The study reveals that the adsorption capacity in different carbon materials depends not only on the textural characteristics of the material...

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

A systematic study on the distortion of a naphthalene ring was performed using steric repulsion between peri-substituents at 1- and 8-positions. The introduction bromo groups into methyl 1,8-dimethylnaphthalene enhanced to distort ring. X-ray crystallography revealed that 1,8-bis(bromomethyl)naphthalene had vertical with 11.0° dihedral angle (α) which disturbed coplanarity On other hand, 1,8-bi...

In the title mol-ecule, C22H20O5, the C=C bond of the central enone group adopts an E conformation. The dihedral angle formed by the benzene ring and the naphthalene ring system is 12.6 (4)°. The hy-droxy group attached to the naphthalene ring is involved in an intra-molecular O-H⋯O hydrogen bond. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains along [010]. In addition...