Search results for "iTED"

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…

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…

Excited State N−H Tautomer Selectivity in the Singlet Energy Transfer of a Zinc(II)-Porphyrin-Truxene-Corrole Assembly

2017

International audience; An original corrole-containing polyad for S-1 energy transfer, in which one zinc(II)-porphyrin donor is linked to two free-base corrole acceptors by a truxene linker, is reported. This polyad exhibits a rapid zinc(II)-porphyrin*free-base corrole transfer (4.83x10(10)s(-1); 298K), even faster than the tautomerization in the excited state processes taking advantage of the good electronic communication provided by the truxene bridge. Importantly, the energy transfer process shows approximately 3-fold selectivity for one corrole N-H tautomer over the other even at low temperature (77K). This selectivity is due to the difference in the J-integral being effective in both t…

Pyrene-Capped CdSe@ZnS Nanoparticles as Sensitive Flexible Oxygen Sensors in Non-Aqueous Media**

2014

A flexible, highly sensitive sensor of oxygen in non-aqueous solvents is described. It consists of CdSe/ZnS nanoparticles decorated with a considerable number of pyrene units, thus making the formation of the pyrene excimer possible. The emission of the pyrene excimer and that of the nanoparticle are suitably separated from each other and also from the excitation wavelength. This sensor can be applied as a ratiometric oxygen sensor by using the linear response of the pyrene excimer lifetime combined with the linear response of the nanoparticle excited state lifetime. This nanohybrid has been assayed in seven media with different dielectric constants and viscosities over the whole oxygen con…

Green-Light Activation of Push-Pull Ruthenium(II) Complexes.

2020

Abstract Synthesis, characterization, electrochemistry, and photophysics of homo‐ and heteroleptic ruthenium(II) complexes [Ru(cpmp)2]2+ (22+) and [Ru(cpmp)(ddpd)]2+ (32+) bearing the tridentate ligands 6,2’’‐carboxypyridyl‐2,2’‐methylamine‐pyridyl‐pyridine (cpmp) and N,N’‐dimethyl‐N,N’‐dipyridin‐2‐ylpyridine‐2,6‐diamine (ddpd) are reported. The complexes possess one (32+) or two (22+) electron‐deficient dipyridyl ketone fragments as electron‐accepting sites enabling intraligand charge transfer (ILCT), ligand‐to‐ligand charge transfer (LL'CT) and low‐energy metal‐to‐ligand charge transfer (MLCT) absorptions. The latter peak around 544 nm (green light). Complex 22+ shows 3MLCT phosphorescenc…

Lifetime measurement of neutron-rich even-even molybdenum isotopes

2017

D. Ralet et al. -- 11 pags., 10 figs., 3 tabs.

The United Nations child policy : international games of morality and power

2013

Removal of Chromophore-proximal Polar Atoms Decreases Water Content and Increases Fluorescence in a Near Infrared Phytofluor

2015

Genetically encoded fluorescent markers have revolutionized cell and molecular biology due to their biological compatibility, controllable spatiotemporal expression, and photostability. To achieve in vivo imaging in whole animals, longer excitation wavelength probes are needed due to the superior ability of near infrared light to penetrate tissues unimpeded by absorbance from biomolecules or autofluorescence of water. Derived from near infrared-absorbing bacteriophytochromes, phytofluors are engineered to fluoresce in this region of the electromagnetic spectrum, although high quantum yield remains an elusive goal. An invariant aspartate residue is of utmost importance for photoconversion in…

The United Nations Framework Convention on Climate Change

2023

This document has been included as a part of the teaching materials funded by the UNESCO Chair of the University of Valencia, 2023. This paper dicusses about the United Nations Framework Convention on Climate Change

The ATXN1 and TRIM31 genes are related to intelligence in an ADHD background: evidence from a large collaborative study totaling 4,963 subjects

2010

Contains fulltext : 96400.pdf (Publisher’s version ) (Closed access) Intelligence is a highly heritable trait for which it has proven difficult to identify the actual genes. In the past decade, five whole-genome linkage scans have suggested genomic regions important to human intelligence; however, so far none of the responsible genes or variants in those regions have been identified. Apart from these regions, a handful of candidate genes have been identified, although most of these are in need of replication. The recent growth in publicly available data sets that contain both whole genome association data and a wealth of phenotypic data, serves as an excellent resource for fine mapping and …