Search results for "POLE"
showing 10 items of 1981 documents
Synthesis and Characterization of Fluorescent, Low-Symmetry Triphenylene Discotic Liquid Crystals: Tailoring of Mesomorphic and Optical Properties
1996
A series of monofunctionalized triphenylene-based discotic liquid crystals were synthesized starting from 2-hydroxy-3,6,7,10,11-pentakis(pentyloxy)triphenylene. These compounds are unique in that they possess a single electron-withdrawing group (and consequently a large dipole moment) connected directly to the polyaromatic core. All of the new liquid crystals show a significantly broader range of mesogenicity relative to the parent compound 2,3,6,7,10,11-hexakis(pentyloxy)triphenylene. Moreover, some of the new mesogens exhibit a more ordered mesophase relative to the hexagonal columnar phase (Dh) at lower temperatures. Monofunctionalization of the triphenylene core has a dramatic effect on…
Molecular Stark-effect spectroscopy of Prodan and Laurdan in different solvents and electric dipole moments in their equilibrated ground and Franck–C…
2007
Abstract The results from electrooptical absorption measurements (EOAM) on the ground and excited Franck–Condon state dipole moments of Prodan and Laurdan in 1,4-dioxane and cyclohexane are presented. The ground and excited Franck–Condon state electric dipole moments as well as the respective transition moment of both probes are parallel. The electric dipole moments of Prodan and Laurdan in the ground state in cyclohexane and 1,4-dioxane have values within the range (15.7–16.5) × 10 −30 C m. On optical excitation the dipole moments increase by (42.1–49.5) × 10 −30 C m. The obtained results are compared with the values of the dipole moments of Prodan and Laurdan determined by other methods.
Excited state dipole moments and polarizabilities of centrosymmetric and dimeric molecules. I. Model study of a bichromophoric molecule
1988
Abstract Refractometric, dielectric and electro-optical absorption measurements are reported for 1-dimethylamino-2,6-dicyano-4-methyl-benzene (I) and 1,4-bis(4′-dimethylamino-3′,5′-dicyanophenyl)bicyclo[2.2.2]octane (II). The evaluation leads to dipole moments and polarizabilities of the ground state as well as the first dipole allowed singlet state. The experimental res excellently substantiate the method of electro-optical absorption measurements in solution. It is shown that the excited dimer wavefunctions of the bichromophoric molecule II localize by solvent induced local site perturbations.
Three-dimensional orientational colocalization of individual donor--acceptor pairs.
2004
We report on the determination of the three-dimensional orientation of the donor and acceptor transition dipoles in individual fluorescence resonance energy transfer (FRET) pairs by means of scanning optical microscopy with annular illumination. Knowledge of the mutual orientation of the donor and acceptor dipole is mandatory for reliable distance determination based on FRET efficiency measurements. In our model system perylenediimide as the donor and terryelenediimide as the acceptor are coupled via a stiff p-terphenyl linker. The absorption dipoles of the donor and acceptor are selectively addressed by the 488 nm and 647 line of an Ar/Kr mixed gas laser, respectively. A clear deviation fr…
Enhanced nonlinear optical properties and thermal stability of donor-acceptor substituted oligothiophenes
1997
Abstract Linear and nonlinear optical properties of a series of novel donor-acceptor substituted α-oligothiophenes were investigated by means of electrooptical absorption measurements (EOAM) and electric field induced second harmonic generation (EFISH). The second-order polarizabilities β(−2ω; ω, ω) were related to dipole changes Δμ ag and transition dipoles μ ag associated with low-lying charge-transfer (CT) excitations by using the perturbational two-level approximation. Systematic variation of the donor and acceptor groups led to compounds with exceptional nonlinearity and thermal stability. Too strong donor/acceptor pairs, however, yielded structures in the charge-resonance (CR) limit w…
The static dielectric constant of solutions of water inn-alcohols at 15, 25, 35, and 45°C
1979
Dielectric constants (measured at 1 MHz) are reported for solutions of water (concentration range 0 to 0.2 mole fraction) in 1-propanol at 25°C, and in 1-butanol, 1-pentanol, and 1-hexanol at 15, 25, 35, and 45°C. These results, together with literature values for solutions of water in methanol, ethanol, 1-heptanol, and 1-octanol, show that water interacts with alcohols in at least two ways: (1) it can participate in the formation of dynamic hydrogen-bonded chains, thereby raising the polarizability; (2) it can form relatively stable structures such as H2O(ROH)4 which have zero net dipole moment and consequently diminish volume polarizability. For C n H 2n+1 OH alcohols,n≥4, most of the ini…
Mössbauer spectroscopic studies on compounds containing tin-cadmium and tin-zinc bonds
1975
The Mossbauer parameters of compounds Ph3Sn MCl · TMED (M = Cd, Zn; TMED = N,N,N′,N′-tetramethylethylenediamine), (Ph3Sn)2CdL2 (L2 = TMED, 2,2′-bipyridine and o-phenanthroline) and (Ph3Sn)2 Zn · TMED have been determined and are discussed in connection with Mossbauer data concerning Ph3SnIV derivatives with other Sn-metal bonds. The isomer shift values suggest a high s character in SnCd and SnZn bonds resulting in deviations from regular tetrahedral environments around tin. Experimental quadrupole splittings and calculated partial quadrupole splitting values indicate reduced donor abilities towards the tin atom of an individual Ph3SnIV moiety by Cd-and Zn(Ph3Sn)1−nClnL2 (i.e., the remaini…
DFT study of polarizabilities and dipole moments of water clusters
2005
Density functional theory (DFT) calculations with different exchange- correlation functionals, Becke's three-parameter exchange functional and the gradient- corrected functional of Lee, Yang, and Paar (B3LYP) and Becke's three-parameter functional with Perdew-Wang correlational functional (B3PW91), are performed to study the dielectric properties of small and medium-sized water clusters. For these H- bonded systems, we optimize the geometries and compute the dipole moments and polarizabilities using a supermolecule approach. The corresponding properties of the individual water molecules in the clusters are extracted from the molecular properties using the Hirshfeld expansion of the electron…
Deciphering the Role of Dipolar Interactions in Magnetic Layered Double Hydroxides
2018
Layered double hydroxides (LDHs) exhibit unparalleled anion exchange properties and the ability to be exfoliated into 2D nanosheets, which can be used as a building block to fabricate a wide variety of hybrid functional nanostructured materials. Still, if one wants to use LDHs as a magnetic building blocks in the design of complex architectures, the role played by the dipolar magnetic interactions in these layered materials needs to be understood. In this work, we synthesized and characterized a five-membered CoAl-LDH series with basal spacing ranging from 7.5 to 34 Å. A detailed experimental characterization allows us to conclude that the main factor governing the dipolar interactions betw…
DFT Calculations of the Electric Field Gradient at the Tin Nucleus as a Support of Structural Interpretation by119Sn Mössbauer Spectroscopy
2005
DFT calculations, using an all-electron basis set and with full geometry optimization, were performed on 34 Sn(II) and Sn(IV) compounds of known structure and (119)Sn Mössbauer parameters, to obtain the theoretical values of the electric field gradient components, V(xx), V(yy), and V(zz), at the tin nucleus. These were used to determine the quantity V = V(zz)[1+ 1/3((V(xx) - V(yy))/((V(zz))(2)](1/2), for each investigated compound, which is related to the quadrupole splitting (DeltaE) parameter according to DeltaE = 1/2eQV, where e is the electronic charge and Q is the quadrupole moment of the tin nucleus. The linear fitting of the correlation plot of the experimental DeltaE, versus the cor…