Search results for "Surfaces"

Tuning the pore size from micro- to meso-porous in thermally stable aluminophosphates

1999

Thermally stable porous aluminophosphates (ICMUV-3) with P/Al molar ratios in the range 0.15 <= P/Al <= 0.75 and showing continuously adjustable pore sizes from 13 to 37 Å have been prepared through a surfactant-assisted procedure without changing the surfactant length and/or addition of organic expansors. Cabrera Medina, Saul, Saul.Cabrera@uv.es ; El Haskouri, Jamal, Jamal.Haskouri@uv.es ; Beltran Porter, Aurelio, Aurelio.Beltran@uv.es ; Beltran Porter, Daniel, Daniel.Beltran@uv.es ; Amoros del Toro, Pedro Jose, Pedro.Amoros@uv.es

Acceleration of the through space S1 energy transfer rates in cofacial bisporphyrin bio-inspired models by virtue of substituents effect on the Först…

2011

The singlet k(ET) for cofacial β-octaalkylporphyrin/bis(meso-aryl)porphyrin dyads increases linearly with the gap between the donor-acceptor 0-0 fluorescence peaks at 77 K.

Polystyrene Sulfonate–Porphyrin Assemblies: Influence of Polyelectrolyte and Porphyrin Structure

2011

In this study, electrostatic self-assembly of different polystyrene sulfonates and a set of tetravalent cationic porphyrins is investigated. It is shown that association of linear polystyrene sulfonates of different molar masses yields finite size nanoscale assemblies that are stable in aqueous solution. Aggregates are compared to the ones of cylindrical brushes, revealing that both form assemblies in the 100 nm range with the charge ratio (molar ratio of porphyrin charges to polyelectrolyte charges) being determining, while the morphology of the resulting network-like assemblies is different for both polyelectrolyte architectures. For the smallest 8k polystyrene sulfonate, in addition, sto…

Templated synthesis of a large and flexible covalent porphyrinic cage bearing orthogonal recognition sites.

2012

A large covalent cage incorporating two porphyrins attached by four long and flexible polyether chains each bearing two 3-pyridyl ligands was synthesized from a DABCO-templated olefin metathesis reaction. The X-ray structure of the cage with the DABCO coordinated inside the cavity to the two zinc(II) porphyrins reveals a highly symmetric structure.

Functionally relevant electric-field induced perturbations of the prosthetic group of yeast ferrocytochrome c mutants obtained from a vibronic analys…

2006

We have measured the low temperature (T = 20 K) absorption spectra of the N52A, N52V, N52I, Y67F, and N52AY67F mutants of ferrous Saccharomyces cerevisiae (baker's yeast) cytochrome c. All the bands in the Q0- and Q(v)-band region are split, and the intensity distributions among the split bands are highly asymmetric. The spectra were analyzed by a decomposition into Voigtian profiles. The spectral parameters thus obtained were further analyzed in terms of the vibronic coupling model of Schweitzer-Stenner and Bigman (Schweitzer-Stenner, R.; Bigman, D. J. Phys. Chem. B 2001, 7064-7073) to identify parameters related to electronic and vibronic perturbations of the heme macrocycle. We report th…

Application of 29Si Homonuclear and 1H−29Si Heteronuclear NMR Correlation to Structural Studies of Calcium Silicate Hydrates

2004

Structural characterization of calcium silicate hydrate (C-S-H) is of major importance, as it is the main constituent of Portland cement and is responsible for its principal cohesion and durability...

The development of modern vacuum technique: Present position and tendencies

1963

Thermodynamics of Electrochemical Systems

2004

A discussion of the fundamentals of thermodynamic theory describing electrochemical systems is presented. The basic relationships are deduced as properties of the electrochemical potential. The theory introduces an observable electric potential that is defined at every position within the electrochemical system as the potential of a reversible electrode placed there. To provide a good test of the formalism, five systems have been studied including equilibrium and nonequilibrium. The formalism emphasizes the advantages of the electric current density in order to characterize one of the degrees of irreversibility and the electrical equilibrium. Finally, the electrostatic potential is discusse…

Phase behaviour of Ag2CrO4 under compression: Structural, vibrational, and optical properties

2013

We have performed an experimental study of the crystal structure, lattice dynamics, and optical properties of silver chromate (Ag2CrO4) at ambient temperature and high pressures. In particular, the crystal structure, Raman-active phonons, and electronic band gap have been accurately determined. When the initial orthorhombic Pnma Ag2CrO4 structure (phase I) is compressed up to 4.5 GPa, a previously undetected phase (phase II) has been observed with a 0.95% volume collapse. The structure of phase II can be indexed to a similar orthorhombic cell as phase I, and the transition can be considered to be an isostructural transition. This collapse is mainly due to the drastic contraction of the a ax…

Computation of conical intersections by using perturbation techniques

2005

Multiconfigurational second-order perturbation theory, both in its single-state multiconfigurational second-order perturbation theory (CASPT2) and multistate (MS-CASPT2) formulations, is used to search for minima on the crossing seams between different potential energy hypersurfaces of electronic states in several molecular systems. The performance of the procedures is tested and discussed, focusing on the problem of the nonorthogonality of the single-state perturbative solutions. In different cases the obtained structures and energy differences are compared with available complete active space self-consistent field and multireference configuration interaction solutions. Calculations on dif…