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Individual MO (MO) contributions to the magnetic shielding of atoms as well as to the nucleus-independent chem. shifts (NICS) of arom. compds. can be computed by the widely used gauge-including AO (GIAO) method. Detailed analyses of magnetic shielding MO-N ...
The reactivity of phenolic compounds can be drastically affected by the electronic nature of substituents and by their positions in the aromatic ring. In this work, structure effect on the photoreactivity via TiO2 catalysis is studied using several substit ...
Quinodimethanes are highly reactive toward dienophiles since Diels-Alder cycloaddn. results in an arom. product. D. functional-based 13C, 1H NMR, NICS, and MO-NICS calcns. indicate that the increase of arom. character of the developing benzenoid ring along ...
(2,6-Dichlorophenyl)- and (2,6-dibromophenyl)trialkylsilanes undergo hydrogen/metal interconversion preferentially at the 4- rather than 3-position. However, the organometallic species generated by such a "meta metalation" are thermodynamically less stab ...
The synthesis of 46 derivatives of (2R,3R,4S)-2-(aminomethyl)pyrrolidine-3,4-diol is reported (Scheme I and Fig. 3), and their inhibitory activities toward alpha-mannosidases from jack bean (B) and almonds (A) are evaluated (Table). ne most-potent inhibito ...
The C-13-{H-1} NMR spectra of two monofluorinated nematic liquid crystals, I35 and I52, have been obtained and analysed to yield sets of dipolar couplings, D-iF, from each carbon in the molecule to the fluorine nucleus. The couplings involving carbons in t ...
Five arom. 1,4-diketones I [R = 2,4,6-(MeO)3, H, 4-Me, 4-MeO, 2,4-(MeO)2] were prepd. using succinyl chloride as acylating reagent. Arom. 1,4-diketone I [R = 2,4,6-(MeO)3] was also prepd. by using succinic anhydride as acylating reagent. The first method c ...
The degradation of metobromuron (MB), isoproturon (IP), chlortoluron (CT), and chlorbromuron (CB) in heterogeneous photocatalytic solution via TiO2 was studied in detail. The influence of parameters such as TiO2 and herbicide concentration has been investi ...
