The 35 1 nm photoelectron spectra of FO-, ClO-, BrO-, IO-, OCIO-, and OIOare reported. The spectra of the halogen monoxides display transitions to both spin-orbit states of the ‘Iii ground state neutrals. Anion vibrational frequencies are observed in the spectra and bond lengths are obtained for the anions from Franck-Condon simulations. Spectra of the halogen dioxides display two active vibrat...

An efficient one-pot process for the synthesis of 3-substituted phospholanes and α,ω-bisphospholanes was developed. The method involves the replacement of aluminium in aluminacyclopentanes, prepared in situ by catalytic cycloalumination of α-olefins and α,ω-diolefins, by phosphorus atoms on treatment with dichlorophosphines (R'PCl2). Hydrogen peroxide oxidation and treatment with S8 of the synt...

The electronic structures and transport properties of a series of actinide monocarbides, mononitrides, and dioxides are studied systematically using a combination of density-functional theory and dynamical mean-field theory. The studied materials present different electronic correlation strength and degree of localization of 5f electrons, where a metal-insulator boundary naturally lies within. ...

The results of a computational study with multiconfigurational quantum chemical methods on actinide monoxides (AnO) and dioxides (AnO(2)) for An = Th, Pa, U, Np, Pu, Am, and Cm, are presented. First and second ionization energies were determined and compared with experimental values, when available. The trend along the series is analyzed in terms of the electronic configurations of the various ...

The crystal structures of a series of 3,39-dinitro-2,29-bipyridine N-oxides and N,N9-dioxides consistently show 1,5 interactions between nitro oxygen atoms and aromatic carbon atoms ((ON)O...C: 2.623(2)–2.839(2) Å) while there are also 1,6 interactions between N-oxide oxygen atoms and nitro nitrogen atoms in most cases (O...N(O2): 2.737(2)–2.874(3) Å). The O...C interactions appears to be a com...

The standard molar enthalpies of formation of the 3-methyl-N-R-2-quinoxalinecarboxamide-1,4-dioxides (R = H, phenyl, 2-tolyl) in the gas phase were derived using the values for the enthalpies of combustion of the crystalline compounds, measured by static bomb combustion calorimetry, and for the enthalpies of sublimation, measured by Knudsen effusion, at T = 298.15 K. These values have also been...

In this paper, silica gel supported titanium dioxide particles (TiO2/SiO2) prepared by acid-catalyzed sol–gel method was as photocatalyst in the degradation of acid orange 7 (AO7) in water under visible light irradiation. The particles were characterized by X-ray diffraction, BET specific surface area determination, and point of zero charge measurement. The supported catalyst had large surface ...