Infrared spectroscopy of gas-phase Cr+ complexes of aniline was studied using the FELIX free electron laser interfaced to a Fourier transform ion cyclotron resonance spectrometer. For both the monomer complex Cr+(aniline) and the dimer complex Cr+(aniline)2 the spectra showed features indicating binding of the metal ion to the aromatic pi cloud, as opposed to the nitrogen atom. Agreement with D...

The use of appropriate level of theories for studying weak interactions such as 8-8 stackinginteractions of aromatic molecules has been an important aspect, since the high level methods havelimitations for application to large molecules. The differences in the stacking energies of variousaromatic molecular structures are found significant. It is also very important for identifying the mostfavor...

the use of appropriate level of theories for studying weak interactions such as 8-8 stackinginteractions of aromatic molecules has been an important aspect, since the high level methods havelimitations for application to large molecules. the differences in the stacking energies of variousaromatic molecular structures are found significant. it is also very important for identifying the mostfavor...

The ability of the 2-substituted aniline motif to serve as a scaffold for designing potential LuxR-regulated quorum sensing (QS) modulators has been investigated, using docking experiments and biological evaluation of a series of 15 specially synthesized compounds. Aniline, 2-acetyl-aniline and 2-nitroaniline were considered, as well as their N-acylated derivatives. Docking experiments showed t...

Systematic studies based on 1H NMR and 13C NMR indicated that the alkylthio group behaves as a weak electron-withdrawing group in a simple aniline system like 2-butylthioaniline, while the same alkylthio group clearly acted as a resonance electron-donating group in higher conjugated aniline trimer systems, like butylthio-substituted PDA (mono-PDA) and dibutylthio-substituted PDA (2,6-diPDA). Th...

Aniline of unknown purity has been reported to induce spleen hemangiosarcoma in rats. Aniline has been found to be negative in terms of mutagenicity in both bacteria and yeasts. We have found that both commercial (already rather pure) and repurified aniline are clearly positive to a similar extent in inducing DNA damage in vivo in liver and kidney of rats. Both the commercial and repurified pro...

A small set of unsymmetrically substituted acene derivatives containing either aniline or dithiocarbamate moieties was synthesized. A stepwise, one-pot procedure was used to transform appropriate acenequinones to aniline-linked acenes in one step with moderate yields. A heretofore-unreported carbon disulfide activation process involving the formation of a trialkylammonium dithiocarbamate interm...

Singlet Oxygen, Radicals, Fluorescein, Diphenylisobenzofuran, Reversed Micelles The 1,3-diphenylisobenzofuran oxidation reaction was investigated in methanolic and dodecylammonium propionate reversed micellar solutions using fluorescein sodium as photosensitizer. It was found that aniline remarkably enhanced the furan oxidation in methanolic solutions but inhibited it in reversed micellar solut...

The kinetic study on the oxidation of aniline with oand p-methylaniline by ammonium persulfate (APS) has been carried out. The course of copolymerization was investigated by UV-vis spectroscopic method. Structural characterization was studied by FT-IR spectral analysis. The electronic spectra of the copolymers poly(aniline-co-p-toluidine) and poly(aniline-co-o-toluidine) show hypsochromic shift...