Search results for " Spectra"
showing 10 items of 709 documents
“Twin” phosphorous atoms of tetraethyl 2-methyl-piperyd-1-ylmethylenebisphosphonates
2007
Recently, bisaminophosphonates found applications as therapeutic agents for curing bone disorders. When trying to relate the structures of substituted piperid-1-ylmethylenebisphosphonic with their biological properties, non-typical findings that in 31P NMR spectra of 2-methyl-piperid-1-ylmethylenebisphosphonic and 2-ethyl-piperid-1-ylmethylenebisphosphonic acids, two separate singlets from each of the phosphonic groups were observed, while their analogues bearing substituent in position 3 exhibit only one signal. Their presence was explained by freezing of the molecular motions by strong hydrogen bonding between NH and P = O atoms. In this work, synthesis as well as spectroscopic and theore…
Hilbert space operators with two-isometric dilations
2021
A bounded linear Hilbert space operator $S$ is said to be a $2$-isometry if the operator $S$ and its adjoint $S^*$ satisfy the relation $S^{*2}S^{2} - 2 S^{*}S + I = 0$. In this paper, we study Hilbert space operators having liftings or dilations to $2$-isometries. The adjoint of an operator which admits such liftings is characterized as the restriction of a backward shift on a Hilbert space of vector-valued analytic functions. These results are applied to concave operators (i.e., operators $S$ such that $S^{*2}S^{2} - 2 S^{*}S + I \le 0$) and to operators similar to contractions or isometries. Two types of liftings to $2$-isometries, as well as the extensions induced by them, are construct…
Multiplicity dependence of the average transverse momentum in pp, p–Pb, and Pb–Pb collisions at the LHC
2013
The average transverse momentum $\langle p_{\rm T}\rangle$ versus the charged-particle multiplicity $N_{\rm ch}$ was measured in p-Pb collisions at a collision energy per nucleon-nucleon pair $\sqrt{s_{\rm NN}}=5.02$ TeV and in pp collisions at collision energies of $\sqrt{s}=0.9$, 2.76, and 7 TeV in the kinematic range $0.15<p_{\rm T}<10.0$ GeV/$c$ and $|\eta|<0.3$ with the ALICE apparatus at the LHC. These data are compared to results in Pb-Pb collisions at $\sqrt{s_{\rm NN}}=2.76$ TeV at similar charged-particle multiplicities. In pp and p-Pb collisions, a strong increase of $\langle p_{\rm T}\rangle$ with $N_{\rm ch}$ is observed, which is much stronger than that measured in Pb-Pb colli…
Etude asymptotique et transcendance de la fonctionvaleur en contrôle optimal. Catégorie log-exp en géométrie sous-Riemannienne dans le cas Martinet.
2000
The main subject of this work is the study and the role ofabnormal trajectories in optimal control theory.We first recall some fundamental results in optimal control. Thenwe investigate the optimality of abnormal trajectories forsingle-input affine systems with constraint on the control, firstfor the time-optimal problem, and then for any cost, the finaltime being fixed or not.Using such an affine system,we extend this theory to sub-Riemannian systems of rank 2.These results show that, under general conditions, an abnormaltrajectory is \it{isolated} among all solutions of the systemhaving the same limit conditions, and thus is \it{locallyoptimal}, until a first \it{conjugate point} which ca…
Electronic structure of phthalocyanines : Theoretical investigation of the optical properties of phthalocyanine monomers, dimers, and crystals
1990
We present valence effective Hamiltonian (VEH) calculations on the optical absorptions of a series of phthalocyanine compounds: the metal‐free phthalocyanine molecule, a model system for the lithium phthalocyanine molecule, the metal‐free phthalocyanine dimer, and model systems for the lutetium diphthalocyanine and the lithium phthalocyanine crystal. For these compounds, it is found that the major factor influencing the evolution of the optical transitions is not the electronic structure of the metal but rather the geometric structure: phthalocyanine intraring geometry and, in the dimers and crystals, interring separation and staggering angle. The origin of the so‐called Soret or B absorpti…
Synthesis, structural diversity, inter-conversion and reactivity of Cu(II) complexes of hydroxy-rich molecules
2002
Tetranuclear Cu(II) complexes having linear, cubane and pseudodouble-cubane cores were synthesized using hydroxy-rich molecules possessing amine and imine groups. The products were structurally characterized and were studied for their ability to oxidize catechol as well as for their inter-conversion between mono- and tetra-nuclear complexes.
Lanthanide–saccharide chemistry: synthesis and characterisation of Ce(III)–saccharide complexes
2000
A series of nine Ce(III) complexes has been synthesised with seven different monosaccharides (D-glucose, D-fructose, D-galactose, D-mannose, L-sorbose, D-ribose and D-xylose) and two different disaccharides (D-maltose and L-lactose), and these have been characterised with various analytical, spectral, magnetic and electrochemical techniques. The NMR studies have highlighted some interesting features about the metal-ion-binding pattern of the saccharides. Some additional coordination has been proposed along with the chelating groups in the saccharide molecules, based on the shifts in 13C NMR spectra. On the other hand, solution absorption studies and solid-state magnetic susceptibilities hav…
Recognition of oxovanadium(V) species and its separation from other metal species through selective complexation by some acyclic ligands
1998
Acyclic molecules possessing –OH (phenoxo and alkoxo type) groups and imine or amine moieties have been developed to sense the specific preference for VO3+ species. These molecules also showed a capability to quantitatively separate oxovanadium(V) species from a reaction mixture containing metal species of V, Mo, U, Fe, and Mn ions in solution. A cascade quantitative separation of VO3+ followed by cis–MoO2+2 followed by trans –UO2+2 species is demonstrated from their mixture. Synthesis and structural details of oxo-species of vanadium molybdenum and uranium are also discussed. Factors influencing the complexation of these molecules towards oxo metal species of V, Mo and U are also addressed.
Interactions of amino acids with aluminum octacarboxyphthalocyanine hydroxide. Experimental and DFT studies
2017
The influence of albumin and amino acids (l-serine, glycine, l-histidine, l-tryptophan, l-cysteine) on the properties of aluminum octacarboxyphthalocyanine hydroxide (Al(OH)PcOC) was investigated in a phosphate buffer (pH 8.0). Particular attention was paid to the spectroscopic properties and photostability of Al(OH)PcOC. The effect of albumin or amino acids on the photodegradation of Al(OH)PcOC was examined in water using red light: 685 nm and daylight irradiation. Analysis of kinetic curves indicated that interaction with those molecules increases the photostability of Al(OH)PcOC. The molecular structure of Al(OH)PcOC complexes (in vacuum and in water) with axially or equatorially coordin…
Ag11(SG)7 : A New Cluster Identified by Mass Spectrometry and Optical Spectroscopy
2014
We report a one-step and high yield synthesis of a red-luminescent silver cluster with the molecular formula, Ag11(SG)7 (SG: glutathionate) via reduction of silver ions by sodium borohydride in the presence of the tripeptide, glutathione (GSH). The as-prepared cluster shows prominent absorption features at 485 and 625 nm in its UV-vis absorption spectrum. Aging of the as-prepared cluster solution led to the disappearance of the 625 nm peak, followed by broadening of the 485 nm peak to give three maxima at ?487, 437, and 393 nm in its absorption spectrum. These peaks remain unchanged even after polyacrylamide gel electrophoresis (PAGE), where a single band was observed confirming high purity…