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[(AcOBP)Pd(II)] and [(TsOBP)Pd(II)], two ester derivatives of [(OBP)Pd(II)](-), are similar to the protonated species, and their benzenoid character is more pronounced. However, reaction of [(OBP)Pd(II)](-) with methyl iodide leads to selective methylation of the coordinating C(22) atom to form a novel organopalladium complex (OBPMe)Pd(II). The strong shielding of the inner Me(22) macrocycle has been retained. At the same time the (13)C chemical shift of C(22) (44 ppm) shows that the palladium-bound carbon has undergone a drastic hybridization change. Alkylation with n-BuI yields a mixture of the O-substituted [(n-BuOBP)Pd(II)] and the C-substituted [(OBP-n-Bu)Pd(II)], which confirms the ambident nucleophilicity of [(OBP)Pd(II)](-). DFT calculations carried out for six tautomers of oxybenziporphyrin and the 22-methylated palladium species provide further insight into the electronic structure of the ligand and its complexes.<br /><br /> Relative energies of the tautomers, increasing in the have been used to estimate the accessibility of four limiting delocalization modes postulated for oxybenziporphyrin and its derivatives. The state of macrocyclic aromaticity observed experimentally in the free base and the phenolic aromaticity of the O-protonated tautomer are the most favorable, and the latter has its energy higher by only 13 kcal/mol. The peculiar bonding situation in (OBPMe)Pd(II), which can be inferred from the NMR data, is also predicted by the DFT methods, which show a strongly distorted tetrahedral Synthesis and photophysical studies on a new fluorescent phenothiazine-based Division, National Research Centre, Dokki, Cairo, Egypt.A new typical phenothiazine compound functionalized with thienyl-indandione derivative (PTZTID) was synthesized and characterized using spectral analysis (ultraviolet-visible (UV-vis) light, infrared (IR), 1 H nuclear magnetic resonance (NMR) and 13 C NMR tools). The UV-vis absorption spectra of the PTZTID solution in 1,4-dioxane showed two absorption bands attributed to localized aromatic π-π* transitions of conjugated aromatic moieties and intramolecular charge transfer with the characteristics of a π-π* transition. The fluorescence spectra exhibited a maximum emission wavelength at 580 nm. The effect of concentration on photophysical properties took the form of a minor hypsochromic shift, which was attributed to some extent to the occurrence of H-type aggregation of the PTZTID derivative.<br /><br /> Binary solvent effects on the spectroscopic behaviour of PTZTID were measured at different H2 O/1,4-dioxane ratios. Similarly, when increasing the water content, a hypsochromic shift was observed that resulted from H-type aggregation. Furthermore, geometry and electronic configurations of PTZTID were studied at density functional theory /B3LYP level and indicated that the compound had a nonplanar (butterfly Starlike aluminum-carbon aromatic species.Is it possible to achieve molecules with starlike structures by replacing the H atoms in (CH)(n)(q) aromatic hydrocarbons with aluminum atoms in bridging prospects for experimental realization, a very extensive computational survey of five planar tetracoordinate carbon atoms to be a promising candidate for detection by photoelectron detachment spectroscopy. BOMD (Born-Oppenheimer molecular dynamics) simulations and high-level theoretical computations verified this conclusion. The combination of favorable electronic and geometric structural features (including aromaticity and optimum C-Al-C bridge bonding) Redox-Active NO(x) Ligands in Palladium-Mediated Processes.This Minireview highlights the redox and non-innocent behavior of NO(x) ligands (x=1, 2, or 3) in selected Pd-mediated processes, for example, alkene and aromatic oxidation processes.<br /><br /> A focus is placed on mechanistic understanding and linking recent transformations, such as C-H bond activation/functionalization and Wacker oxidation, with previous work on the functionalization of aromatics © 2015 WILEY-VCH Verlag GmbH &amp; Co. KGaA, Weinheim.A nonmetal catalyst for molecular hydrogen activation with comparable catalytic hydrogenation capability to noble metal catalyst.Laboratory of Microstructure, Department of Chemistry and Chemical Engineering, Fullerene can activate molecular hydrogen and is a novel nonmetal hydrogenation catalyst. [http://en.wikipedia.org/wiki/Photoacid Photosensitive Acid Generator] of aromatic nitro compounds to amino aromatics is achieved on this catalyst with high conversion and selectivity under 1 irradiation, which is comparable to the case with a noble metal catalyst.Application of glass capillary columns to monitor petroleum-type hydrocarbons in High resolution glass capillary columns coated with SE 52 liquid phase were used to resolve the indigenous hydrocarbons extracted from sediment samples collected from three outer continental shelf areas. The extracts were than spiked with small amounts of aliphatic or aromatic components isolated from a Louisiana crude oil and rechromatographed.<br /><br /> [http://en.wikipedia.org/wiki/Photoresist 6-butyl-n-hydroxynaphthimide trifluoromethanesulfonic acid as a Precursor for Naphthalimide Derivatives] was sufficient to separate almost all the isoprenoid, branched and cyclic alkanes associated with petroleum. Additionally, many of the key petroleum aromatics could also be resolved from naturally occurring organics.