Search results for "SINGLE"

Transferability of ASTM/NIST alanine–polyethylene recipe at ISS

2000

Abstract Alanine–polyethylene solid state dosimeters were prepared at Istituto Superiore di Sanita (ISS) following the recipe proposed by National Institute of Standards and Technology (NIST) with the goal of testing its transferability. Dosimeters were prepared using 95% alanine and 5% polyethylene, by weight. They are rugged and of increased sensitivity, repeatability and reproducibility as respect to the ISS alanine-paraffin pellets. Reproducibility of about 1% was obtained at 10 Gy and at 3 Gy if one single pellet or a stack of five dosimeters were used, respectively.

ChemInform Abstract: Cerium(IV)-Catalyzed Single Electron Transfer (SET) on Acenaphthene and 1,4-Dihydronaphtho(1,8-d,e) (1,2)diazepine: Chemical Evi…

1987

A Theoretical Insight into the Photophysics of Acridine

2001

The electronic absorption and emission spectra of acridine have been studied by means of a multiconfigurational second-order perturbation method (CASSCF/CASPT2) and its multistate extension (MS-CASPT2). The low-lying valence singlet and triplet π → π* and n → π* excited states have been computed. The location of the lowest Rydberg state (3s) has been also estimated. By optimization of the geometries of the ground and low-lying excited states and the calculation of transition energies and properties, the obtained results lead to a complete analysis and assignment of the available experimental singlet−singlet and triplet−triplet absorption spectra and to the description of the basic features …

B,B-Diporphyrinbenzyloxy-BODIPY dyes: synthesis and antenna effect.

2012

B,B-Diporphyrinbenzyloxy-BODIPY derivatives have been prepared in high yields, and the photophysical properties are reported. Singlet energy transfers from BODIPY to the porphyrin units have been analyzed.

Single-Crystal Structures of Model Compounds for Poly(2,5-dialkoxy-1,4-phenylenevinylene)

1999

Die kristallstruktur von oligo[(2-hydroxy-1,3-phenylen)methylen]en

1984

The crystal structure of three tetranuclear phenolic compounds – 6,6′-bis (2-hydroxy-5-methylbenzyl)-4,4′-dimethyl-2,2′-methylenediphenol (1), 6-(2-hydroxy-3,5-dimethylbenzyl)-6′-(2-hydroxy-5-methylbenzyl)-4,4′-dimethyl-2,2′-methylendiphenol (2), and 6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-6′-(2-hydroxy-5-methylbenzyl)-4,4′-dimethyl-2,2′-methylene-diphenol (3) –, was determined by single crystal X-ray analysis. Intramolecular hydrogen bonds between all hydroxyl groups of adjacent phenolic units are found for all molecules. They are directed to the opposite end of the molecule by the ortho-methyl or ortho-tert-butyl group in compounds 2 and 3, while no special orientation is found in 1. Th…

Excited states of [3.3](4,4')biphenylophane: the role of charge-transfer excitations in dimers with pi-pi interaction.

2010

The singlet and triplet electronic excitation manifold of [3.3](4,4')biphenylophane (BPP), an intramolecular dimer, and 4,4'-dimethylbiphenyl (DMBP), the corresponding monomer, has been analyzed by employing the approximate coupled-cluster singles and doubles model (CC2). The calculated triplet-triplet and singlet-singlet transient absorption spectra show good agreement with recent experimental results. The calculations suggest a strong interaction of the two biphenyl moieties of BPP in the first singlet and triplet excited states due to the overlapping pi-electron systems, and Forster-Dexter theory for weak coupling cannot be applied. Both the first excited singlet and triplet states of BP…

Special Calixarenes by Directed Syntheses

1997

The synthesis of special calixarenes and calixarene-like macrocyclic compounds via stepwise procedures and fragment condensation is reviewed. Among the compounds available are exo- and endo-calixarenes consisting of different phenolic units, having bridges other than methylene or showing inherent chirality (Cn-symmetry). Macrobi- and -tricyclic molecules such as bridged calixarenes, double calixarenes, bicyclocalixarenes and annelated calixarenes are also described. Single crystal X-ray structures are reported for several compounds. Some properties like conformational barriers, pKa values or the ability to complex metal ions are discussed, showing the potential of these compounds which may …

On the low-lying singlet excited states of styrene: a theoretical contribution

2000

The present contribution analyses the trans–cis photoisomerization mechanism of ethene and styrene on the singlet manifold. Within the framework of multiconfigurational second-order perturbation theory (CASPT2), the extended multistate approach (MS-CASPT2) is found to be flexible enough to describe energy hypersurfaces adiabatically. For ethene, torsion about the CC bond towards a perpendicular structure leads to a situation where the energy difference between the ground and the lowest excited state is still too large (2.5 eV) for efficient radiationless decay. However, the energy gap decreases to 0.4 eV when one of the methylene moieties is, in addition, pyramidalized from the twisted stru…

Revealing interactions between polyaza pyridinophane compounds and DNA/RNA polynucleotides by SERS spectroscopy

2014

Surface-enhanced Raman scattering spectroscopy (SERS) in the near-infrared region had been applied to study interactions of polyaza pyridinophanes with single stranded RNA and double stranded DNA and RNA polynucleotides. Studied compounds, PYPOD and PHENPOD, differed in the central aromatic moiety, pyridine and phenanthroline, respectively, which linked two cyclic amines. An intense scattering was obtained from molecules adsorbed onto the silver nanoparticles, showing nonlinear concentration dependence in the 6.5 × 10−8−6.5 × 10−5 M range. New bands in spectra of PYPOD/polynucleotide and PHENPOD/polynucleotide mixtures were assigned to vibrational modes of polynucleotide moieties involved i…