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The electronic properties of eight chosen naphthalene derivatives carrying one or two hydroxyl groups have been determined experimentally and theoretically using experimental data and computer simulations. The measurements of the transient photocurrents and steady state dark currents were made. The results of quantum density functional theory calculations based on the Marcus–Hush theory were used to calculate Einstein's mobility. The analysis of the Hirshfeld surface allowed to determine the probable influence of the nature of the substituents and the substituent position on the conductivity of the tested naphthalenes. The results allowed for a qualitative determination of the nature of the hole transport mechanism. [ABSTRACT FROM AUTHOR]

The structure of 6,6′-dimethylsulfinyl-2,2′-bipyridine (1) has been determined by a single-crystal X-ray crystallography. This compound crystallizes in the monoclinicP21space group witha=5.7922(12) Å,b=8.7292(5) Å,c=13.0887(16) Å, β=102.094(14)° andZ=2. The molecule of1consists of a 2,2′-bipyridine moiety substituted in the 6 and 6′ positions by dimethylsulfinyl groups. Atoms belonging to one of these two groups are disordered over two positions with an occupation of 0.600(9) for the major component. The molecular structure of1has been compared and discussed with several similar compounds. In the solid state, molecules of1are linked by two independent weak C‒H···O hydrogen bonds forming the infinite simpleC(4) andC(5) chains, and their combined effect is a formation of thering additionally stabilized by intermolecular π···π stacking and S\dbond O···π interactions. Moreover, Hirshfeld surface analysis has been used for comparison of the interactions in the crystal structure of1and in those of several of its simple analogues [i.e. 1-[6-(6-acetylpyridin-2-yl)pyridin-2-yl]ethanone, dimethyl 2,2′-bipyridine-6,6′-dicarboxylate, 6,6′-dimethyl-2,2′-bipyridyl and 2,2′-bipyridyl]. [ABSTRACT FROM AUTHOR]

Structurally identified, three unexpected products, obtained from the reaction of tritphenylmethanethiol with (+)-R-pulegone, i.e., bis(triphenylmethyl) sulfide, bis(tripheny- lmethyl) trisulfide, and bis(triphenylmethyl) peroxide, have been examined using Hirshfeld surface analysis. This analysis has been also performed for several of their simple analogues. Comparison of the results obtained shows that relative contributions of close contacts to the Hirshfeld surfaces of the molecules depend on the number of sulfur atoms between the central C atoms of compounds Ph3CSnCPh3(n = 1, 2, 3 and 6), and in the case of Ph3XO2XPh3(X = C, Si, Ge) compounds on the type of central X atom. [ABSTRACT FROM AUTHOR]

Preparation of chiral cyclic aminosulfite and sulfite derived from diastereomerically pure 1-[α-N-1-phenylethyl]benzyl-2-naphthol and 1,1'-bi-2'-naphthol, respectively, are reported. The nucleophilic substitution on the sulfite substrate by using some selected nucleophiles is also discussed. [ABSTRACT FROM AUTHOR]