A direct comparison of quasielastic neutron scattering experimental measurements and molecular dynamics computer simulations is carried out for the first time for hydrogen and deuterium confined in the nanostructure of faujasite type zeolites at a temperature of 100 K, in order to investigate the dependence of sorption thermodynamics and sorbate dynamics on the sorbed phase concentration. The c...

1. Introduction Practical applications of zeolites and other nanoporous materials always involve at least two different components, but understanding of multicomponent diffusion in zeolites is limited and experimental data are scarce. The elements of the multicomponent Fickian diffusion tensor for a given system may depend on the total loading of adsorbed molecules, the adsorbed-phase compositi...

Anion exchange of BF(4)(-) occurs by stirring a cobalt(III) complex of salen-type ligand tethered by four quaternary ammonium BF(4)(-) salts over a slurry of NaX in CH(2)Cl(2), affording a complex containing four X's per cobalt (X = 2,4,5-trichlorophenolate, 6; X = 4-nitrophenolate, 10; X = 2,4-dichlorophenolate, 12). The (1)H and (13)C NMR spectra are in agreement with an unusual imine uncoord...

We report solid-state 25Mg NMR, X-ray crystallographic, and quantum-mechanical calculation results for bis(pyridine)(5,10,15,20-tetraphenylporphyrinato)magnesium(II), Mg(TPP)·Py2. Mg(TPP)·Py2 crystallizes in the triclinic form, in the space group P1. The unit cell parameters are: a = 9.6139(13) Å, b = 11.0096(16) Å, c = 11.8656(15) Å; α = 102.063(3)°, β = 103.785(3)°, γ = 114.043(2)°; Z = 1. Th...