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Recently, the sigma-aromaticity model proposed for cyclopropane by Dewar was employed to account for the stability of Group 8 trinuclear metal-carbonyl compds. [M3(CO)12] (M = Fe, Ru, Os). This paper further examines this hypothesis and provides the first ...
The stacking of 4n pi electron hydrocarbon rings into superphane structures can eliminate their antiaromaticity and result in through-space three-dimensional arom. character. This is demonstrated by the bond length equalized geometries and diatropic NICS v ...
he influence of the halogen upon the TiO2 photocatalytic degradation of p-halophenols in water has been investigated. Phenol was used as the reference compound. Compared with its value for phenol, the apparent first-order rate constant of removal, k, was s ...
We present here ultraviolet and infrared spectra of protonated aromatic amino acids in a cold, 22-pole ion trap. Ultraviolet photofragmentation spectra of protonated tyrosine and phenylalanine show vibronically resolved bands corresponding to different sta ...
Five increasingly sophisticated aromaticity indexes, based on nucleus-independent chem. shifts (NICS), were evaluated against a uniform set of arom. stabilization energies (ASE) for 75 mono- and polyheterocyclic five-membered rings. While acceptable statis ...
The ion pair of the stereolabile C3-symmetric, i+o proton complex [1⋅H]+ of diaza-macropentacycle 1 and the configurationally stable Δ-TRISPHAT ([Δ-3]−) anion exists in the form of two diastereomers, namely, [Δ-(1⋅H)][Δ-3] and [Λ-(1⋅H)][Δ-3], the ratio of ...
The double-arom. character of selected monocyclic carbon, boron, and borocarbon rings is demonstrated by refined nucleus-independent chem. shift (NICS) analyses involving the contributions of individual canonical MOs and their out-of-plane NICS tensor comp ...
We present the spectroscopy and photofragmentation dynamics of two isomeric protonated dipeptides, H+AlaTyr and H+TyrAla, in a cold ion trap. By a combination of infrared-ultraviolet double resonance experiments and density functional theory calculations, ...
The electrochemical degradation of saturated solutions of herbicides 4-chloro-2-methylphenoxyacetic acid, 2-(4-chlorophenoxy)-2-methylpropionic acid and 2-(4-chloro-2-methylphenoxy)propionic acid in 1 M HClO4 on a boron-doped diamond (BDD) thin film anode ...
A tetragonal molybdenum nitride (beta-Mo2N) has been prepared by temperature programmed treatment of MoO3 in flowing N-2 + H-2 and for the first time shown to catalyze the liquid phase selective hydrogenation (T = 423 K; P-H2 = 11 bar) of a series of para- ...