Search results for "Transition dipole moment"
showing 10 items of 52 documents
Dipole moments of 4′-aminoflavonols determined using electro-optical absorption measurements or molecular Stark-effect spectroscopy
2002
The electro-optical absorption measurements (EOAM) were used to measure the dipole moments of the normal form of 4 � -(methoxy)-3hydroxyflavone (FOM), 4 � -(dimethylamino)-3-hydroxyflavone (FME), and 4 � -N-(15-azacrown-5)-3-hydroxyflavone (FCR). For these probes the excited state intramolecular proton transfer (ESIPT) takes place. For comparison, the dipole moments of 4 � -(dimethylamino)-3methoxyflavone (FME3ME), for which ESIPT is lacking, were measured. In the case of FCR, FME, and FME3ME the equilibrated ground (µg) and excited Franck–Condon state (µ FC ) electrical dipole moments are parallel to each other and also parallel to the transition dipole moment. The electrical dipole moment…
Structural symmetry breaking in octupolar tetrastyrylpyrazines and their dipole moments in equilibrium ground and Franck-Condon excited state
2018
Abstract From electrooptical absorption measurements (EOAM) follows that the dipole moment of octupolar tetrastyrylpyrazines in the equilibrium ground state is large and that the change of dipole moments upon transition to the excited Franck–Condon state is significant. Obtained results unambiguously testify to structural symmetry breaking in the studied octupolar tetrastyrylpyrazines. Molecular mechanics and semi-empirical calculations evidence that tetrastyrylpyrazines have non-planar configurations. The non-planar geometry of the molecules causes large μg values and significant change of dipole moment Δaμ after excitation. Due to large μg and Δaμ values the maxima of the first absorption…
Dipole moments of aminophthalimides determined by modified electro-optical absorption and emission measurements
1995
Modified electro-optical absorption and emission methods were used to measure the electric dipole moments of five aminophthalimides in their ground and excited states. The equilibrated ground and excited state dipole moments measured by these methods are in reasonable agreement with those derived from other measurement techniques, confirming the general validity of these methods. A difference is observed between the properties of 3-aminophthalimide (3AP) and 4-amino-N-methylphthalimide (4ANMP) in different solvents. The equilibrated dipole moment of 3AP in its excited state is practically independent of the solvent polarity in contrast with 4ANMP. The possible mechanism of this effect is di…
Dipole Moments and the Direction of the Transition Dipole Moment of Some Intramolecular Exciplexes
1988
The dipole moments of some intramolecular exciplex systems have been determined from the effect of an electric field on their fluorescence and are compared to those estimated from solvent shift measurements. The charge transfer between the donor and acceptor subunits is between 0.6 and 0.9 of a full charge transfer. The face-to-face type exciplexes show considerable deviations from the general behaviour what might be due to some admixture of locally excited configurations to the exciplex wave function, in this way reducing the dipole moment values and changing the direction of the transition dipole moment.
Dipole Moment Surface of the van der Waals Complex CH4–N2
2010
The interaction-induced dipole moment surface of the van der Waals CH(4)-N(2) complex has been calculated for a broad range of intermolecular separations R and configurations in the approximation of the rigid interacting molecules at the MP2 and CCSD(T) levels of theory using the correlation-consistent aug-cc-pVTZ basis set with the basis set superposition error correction. The simple model to account for the exchange effects in the range of small overlap of the electron shells of interacting molecules and the induction and dispersion interactions for large R has been suggested. This model allows describing the dipole moment of van der Waals complexes in analytical form both for large R, wh…
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.
Studies of rotational level Λ-doubling by rf-optical double resonance spectroscopy: application to NaK D1Π
1997
Abstract We report here the application of optical-radio frequency double resonance spectroscopy for individual rotational levels of the NaK D 1 Π state. Lambda doubling constant q values for five ν′, J ′ levels are obtained. These data are combined with measurements of dc e - f Stark-mixing-induced changes in optical spectra, and the electric dipole moment d p in the D 1 Π state is determined.
Vibrational analysis of the electronic spectrum of ethylene based onab initio SCF-CI calculations
1972
Ab initio calculations for CH2 twisting and CC stretching vibrational wavefunctions and energy levels are reported for various electronic states of ethylene C2H4. Electronic transition moments between these states are also obtained to allow a calculation of the oscillator strengths for vibrational transitions involved in various electronic band systems; from this study it is concluded that thevertical electronic energy differenceΔE e may differ significantly from the energy of the absorption maximumΔE max with which it is often equated. In particular it is found in the case of theπ→π * singlet-singlet excitation of ethylene that theΔE e value overestimates the most probable vibrational tran…
Investigations of Chl a aggregates cross-linked by dioxane in 3-methylpentane
1997
In this work, dioxane-bound aggregates of chlorophyll a are prepared in 3-methylpentane. The properties of the aggregates are studied by using steady-state and time-resolved spectroscopies. The Q -region absorption spectrum of the y chlorophyll a-dioxane aggregate shows four clearly resolvable narrow bands with comparable intensities. The band maxima are located at 683, 689, 698 and 702 nm. The emission spectrum consists of two emission bands centred at 699 and 702 nm suggesting the presence of two types of aggregates. High degree of fluorescence polarization is detected yielding the angles between the absorption transition moments with respect to the 702 nm emission transition moment. The …
Exploring Quantum Matter with Ultracold Atoms in Optical Lattices
2005
Publisher Summary This chapter explores quantum matter with ultracold atoms in optical lattices. The chapter focuses on bosonic atoms in optical lattices and on the regime where strong correlations between the atoms become important. In the interaction of atoms with coherent light fields, two fundamental forces arise. The Doppler force is dissipative in nature and can be used to efficiently laser cool a gas of atoms and relies on the radiation pressure together with spontaneous emission. The dipole force creates a purely conservative potential in which the atoms can move. No cooling can be realized with this dipole force, however if the atoms are cold enough initially, they may be trapped i…