Microwave spectrum,conformation, and dipole moment of divinyl ether

The microwave spectrum of divinyl ether has been observed and a, b, and c type rotational transitions of one conformer assigned. This conformer has rotational constants closely related to the cis-trans planar form. The inertial defect and dipole moment reveal that it is not planar. This nonplanarity almost certainly results because of strong repulsion between the β hydrogen of the cis vinyl group and the α hydrogen of the trans vinyl group. The c type transitions are split 53 MHz by inversion tunneling. The dipole moment has been obtained from Stark effect measurements and is 0.782 debye.     

Theoretical calculation of the dipole moment function of the a4Π state of NO

The potential energy curve and theoretical dipole moment function of the a⁴Π state of NO have been determined using full-valence and first-order configuration interaction wavefunctions. Using these two different wavefunctions, the dipole moments of the a⁴Π, v = 3 level have been found equal, respectively, to 0.16 D and 0.30 D, with the polarity N⁺O^?. These values compare well with the value of |0.20 ± 0.04| D determined by Lisy and Klemperer. The first derivative of the dipole moment has also been calculated to be equal to 1.25–1.73 D/bohr.     

Electric field effects in the EPR spectrum of low-spin Ni<Superscript>3+</Superscript> centers in the KTaO<Subscript>3</Subscript> crystal

The electric field effects in the EPR spectra of low-spin (S = 1/2) Ni³⁺ tetragonal centers in KTaO₃ single crystals are investigated. It is revealed that the resonance lines are split and the centers are oriented as a result of the interaction of the external field with the electric dipole moment of the center. The dipole moment of the center is determined to be p = 100 D = 21 e?. An analysis of the set of experimental data obtained permits one to choose correctly the microscopic models for two nickel centers in KTaO₃ crystals among the models discussed in the literature. Original Russian Text ￠ L.S. Sochava, S.A. Basun, V.é. Bursian, A.G. Razdobarin, D.R. Evans, 2007, published in Fizika Tverdogo Tela, 2007, Vol. 49, No. 12, pp. 2157–2160.     

Magnetic moments of excited baryons

The explanation of the nucleon’s resonance spectrum is a long standing challenge. Magnetic moments of resonances are a valuable testing ground for baryon structure calculations. We have shown in a former experiment that the extraction of the Δ⁺(1232) magnetic dipole moment is feasible via the measurement and analysis of the reaction γp→π⁰γ^′p, in which the photon γ^′ carries the desired information. Such an experiment has been repeated with high precision using the Crystal Ball and TAPS detectors at the MAMI accelerator facility. Preliminary results will be presented. Furthermore, the perspectives for accessing the magnetic moment of the S₁₁(1535) resonance in radiative η photoproduction γp→ηγ^′p will be discussed.     

Investigation of surface self-diffusion of Ni atoms on the Ni(100) plane by means of work function measurements and Monte Carlo calculations

A novel method is presented to study migration of adsorbed metal atoms on a clean (hkl) surface of a metal substrate. The system used was Ni on Ni(100). We make use of the assumption that each single step of random walk motion of an individual adatom on the metal substrate refers to an activation energy ΔE_if (indices i and f giving the number of occupied nearest neighbour sites in the initial and final position respectively). Furthermore, we assume that the dipole moment p_v of an adatom is determined by the number v of occupied nearest neighbour sites. Via their dipole moments the adsorbed atoms induce a change of work function ΔΦ of the substrate metal, ΔΦ being related to the average dipole moment per unit area by the Helmholtz equation. To measure ΔΦ we use a pendulum device. At fixed low coverage θ the variation of ΔΦ with temperature T has been calculated numerically within the framework of a Monte Carlo simulation (MCS) model, using various activation energies ΔE_if and dipole moments p_v as input parameters. By fitting these data to the experimental curves we could derive the following dipole moments and activation energies: p₀ = 0.45 ± 0.05 D, p₁ = 0.36 ± 0.05 D, p₂ = 0.27 ± 0.05 D, p₃ = 0.18 ± 0.05 D, ΔE₀₀ 0.60 ± 0.02 eV, ΔE₁₀ = 0.70 ± 0.025 eV, ΔE₂₁ = 0.80 ± 0.05 eV, ΔE₂₀ = 0.90 ± 0.05 eV. We compare these results with those of other workers.     

Theoretical dipole moment function of the X1Σ+ state of HI

Multiconfiguration self-consistent-field calculation has yielded the dipole moment function for the X¹Σ⁺ state of HI, which qualitatively confirms the experimental finding that the dipole derivative at R_e is negative. The calculated dipole moment for the v = 0 vibrational level is 0.665 D for both HI and DI as compared with the experimental values of 0.38 and 0.445 ± 0.02 D, respectively. The calculated potential curve yields values of R_e, D₀, and ΔG_v+1/2, in good agreement with spectroscopic data. A simple valence bond explanation has been provided for the qualitative difference between the dipole moment function of HI and those of the smaller hydrogen halides.     

Schiff moment of the mercury nucleus and the proton dipole moment

The Schiff moment of the ¹⁹⁹Hg nucleus is calculated using finite range P-and T-violating weak nucleon-nucleon interaction. Both the contributions of the P-and T-odd interaction and of internal nucleon electric dipole moments to the Schiff moment of ¹⁹⁹Hg are calculated. The contribution of the proton electric dipole moment is obtained via core-polarization effects treated in the framework of RPA with effective residual interactions. We derive a new upper bound |d _p |<5.4×10^?24e cm for the proton electric dipole moment.     

Microwave spectrum,dipole moment,and conformation of 3,6-dioxabicyclo[3.1.0.]hexane

The microwave spectrum of 3,6-dioxabicyclo[3.1.0.]hexane has been obtained. The rotational lines of one ring conformation only have been observed and assigned. Ground state rotational constants are A₀ = 6287.302 ± 0.011 MHa, B₀ = 4683.546 ± 0.008 MHz, and C₀ = 3358.517 ± 0.089 MHz. The diploe moment components obtained from Stark effect measurements are μ_a = 0.276 ± 0.010 D and μ_c = 2.47 ± 0.04 giving μ = 2.485 ±0.040 for the dipole moment of the molecule. The rotational constants and dipole moment components obtained experimentally can be satisfactorily explained only if the boat form is the most stable ring conformation.     

The microwave spectrum and structure of chloryl fluoride

The microwave spectra of three isotopic species of chloryl fluoride, FClO₂, in its ground vibrational state, have been measured in the frequency region 8–37 GHz. The spectra have yielded values for the rotational constants, centrifugal distortion constants, and chlorine nuclear quadrupole coupling constants, as well as the molecular dipole moment, 1.722 ± 0.03 D. The molecule has been shown to have C_s symmetry, and a pyramidal configuration, with the chlorine atom at the apex of the pyramid. The following internuclear parameters were obtained:r(Cl?F)1.697±0.003 A r(Cl?F)=1.418±0.002AThe structural parameters, quadrupole coupling constants, dipole moment and force field are explained in terms of a bonding scheme in which a fluorine 2p atomic orbital overlaps with the highest occupied orbital of ClO₂; there is considerable evidence for withdrawal of electron density from this singly occupied antibonding orbital of ClO₂ toward the fluorine atom.     

Direct fit of experimental ro-vibrational intensities to the dipole moment function: Application to HCl

A dipole moment function (DMF) for hydrogen chloride (HCl) has been obtained using a direct fit approach that fits the best available and appropriately weighted experimental data for individual ro-vibrational transitions. Combining wavefunctions derived from the Rydberg-Klein-Rees (RKR) numerical method and a semi-empirical DMF, line intensities were calculated numerically for bands with Δv=0, 1, 2, 3, 4, 5, 6, 7 up to v′=7. The results have demonstrated the effectiveness of inclusion of rotational dipole moment matrix elements and appropriate weighting of the experimental data in the DMF fitting. The new method is shown to be superior to the common method of fitting only the rotationless dipole moment elements, while at the same time being simple to implement.     

Laser Stark and diode laser spectroscopy of the 10-μm bands of CH2NH: Determination of the dipole moment orientation

The complexities apparent in the laser Stark spectra obtained from the 10-μm band system of CH₂NH are shown to be due to the interplay of the a and b components of the Coriolis and Stark effect coupling. As a result it has been possible to determine the relative orientations of the a and b components of the permanent electric dipole moment. This is analogous to the determination of the relative signs of the dipole moment derivatives from the analysis of the intensity perturbations produced by Coriolis interaction.A detailed comparison has also been made of the uses of laser Stark, diode laser, and Fourier transform spectroscopy for studying heavily perturbed molecular spectra.     

Microwave spectrum of tetracyclo[3.2.0.02,7.04,6]heptan-3-one and the effect of cyclopropyl-carbonyl group interactions on the dipole moment

The microwave spectrum of tetracyclanone has been analyzed, resulting in a dipole moment of 3.65 ± 0.02 D. This rather large dipole moment is explained as another manifestation of interactions between the Walsh orbitals of cyclopropyl groups and π-orbitals on substituent groups. We have developed an empirical model, based on the ideas of Hoffmann, for the effect of such an interaction on the dipole moment, and show that the model gives good quantitative agreement with the dipole moments of many related compounds. The ground state rotational constants, obtained from an iterative least-squares fit to a rigid rotor, are A = 4361.92 ± 0.07, B = 2469.960 ± 0.003, and C = 2028.872 ± 0.003 MHz. The uncertainties are standard deviations determined solely from the goodness of fit to 10 transition frequencies.     

Study of the paraelectric behavior of OH− ions in alkali halides with optical and caloric methods-I. Statics of dipole alignment

The electric field induced alignment of substitutional OH^? ions in a variety of alkali halide crystals was studied, using electro-optical and electro-caloric techniques. As basis for the electro-optical studies, the u.v. absorption of OH^? in various crystals was thoroughly investigated at different temperatures, and in several cases oscillator strength values were determined. The energy position of the u.v. absorption of OH^? in 13 alkali halides follows closely an Ivery-relation, which is discussed in terms of a charge-transfer model. The observed electric field induced zero-moment changes of the u.v. absorption, which depend strongly on light polarization, field direction and temperature, can be quantitatively accounted for by a paraelectric alignment model of permanent dipoles with moment p. The anisotropy of the OH^? electro-dichroism reveals <100> dipole orientation in NaCl, KCl, KBr, RBCl, RbBr and RbI, <110> orientation in KI, and <111> orientation in CsBr. The determined dipole moment values p show little variation with the host material, which excludes sizeable contributions to p from off-center shifts of the OH^? ion. The observed saturation of the electro-dichroism indicates a peculiar ‘mixed’ polarization behavior of the optical transition, which will be discussed. Reversible electro-caloric measurements, performed on several OH^? systems, reveal a field dependence and anisotropy in the high field range, which yield dipole orientation and dipole moment values in agreement with the electrooptical results.     

CP noninvariance and the possibility of a sizable neutron electric dipole moment

The electric dipole moment of the neutron will be measured to a precision of 10^?25 e-cm in the near future. We explore a new theoretical possibility that P and CP noninvariance leads to a sizable electric dipole moment. We calculate an electric dipole moment of about 10^?25 e-cm. In this phenomenological theory, we calculate CP-violating observables in non-leptonic decays from theK ⁰ ? \(\bar K^0 \) ,Λ ⁰ ?Λ ⁰ andK ⁺?K ^? systems. In connection with CP noninvariance, the possible observable occurrence of ΔS=2 decays is discussed. We calculate possible branching ratios; in particular that forΞ ⁰ → π^? p can be as high as about 10^?6. The possible existence of a weakly interacting, neutral scalar boson, which violates P and CP in the course of its propagation as a virtual particle, is considered.     

The dipole moment of the FO radical

The electric dipole moment of the FO radical (${}^2\text{Π}{}_{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}$) has been directly measured by observing its saturated absorption laser magnetic resonance spectrum (v = 1 ← 0) in the presence of a moderate electric field. The resulting dipole moment [μ(v = 0) = 0.0043(4) D, μ(v = 1) = 0.0267(9) D] is extremely small, and shows a large relative change with vibrational state. The sign of the dipole moment is the same for the two vibrational states. Previous failures to detect microwave or gas phase EPR spectra of FO are fully explained by this small dipole moment.     

Determination of the Dipole Moment of O-18 Methanol by Microwave Stark Spectroscopy

In this paper we report accurate measurements of microwave (MW) frequencies for nine different transitions in the first four torsional states in the ground vibrational state of O-18 substituted methanol, for a wide range of applied dc electric field. The Stark-shifted frequencies were measured with accuracies of about ±10 kHz. The results were analyzed to deduce accurate dipole moment values for the four torsional states involved. Substantial variation of dipole moment was observed as a function of the torsional state. The zero field frequencies have been also determined with much better precision than known before. The dipole moment values for the torsional ground state have been determined to be μ_a= 0.8992(8) and μ_b= 1.4226(3) D. The dipole moment value increases with torsional excitation. These values will be useful for the evaluation of relative intensities of interstellar microwave and millimeter wave transitions and optically pumped far infrared laser lines.     

High-resolution measurements of the 1 ← 0 infrared absorption band of hydrogen iodide

The ν₁ fundamental band of FNO has been studied by the technique of CO laser Stark spectroscopy. The band origin was determined to be 1844.099 cm^?1, and values for the rotational and centrifugal distortion constants of the (100) excited vibrational state were found. The ground state dipole moment components were determined to be μ_a = 1.690 and μ_b = 0.370 D, for a total dipole moment of 1.730 D, and a relatively large reduction (5%) was found in μ for the (100) state relative to the ground state.     

Observation of nuclear acoustic resonance in lead

Nuclear acoustic resonance signals have been observed in lead at low temperature. Because the nucleus of lead has no electric quadrupole moment, the only coupling is via the magnetic dipole moment. The signal intensity, lineshape, and temperature dependence are in agreement with the theory of Buttet if an effective value of ω_cτ/ql is chosen to be 0.81.     

New all-optical method for measuring molecular permanent dipole moment difference using two-photon absorption spectroscopy

Stark effect, in combination with spectral hole burning and single-molecule spectroscopy, has been a fruitful technique to study permanent electric dipole moment of molecules in condensed phase. However, because measuring Stark shifts relies on external fields and narrow line- or hole-widths, the applicability of this method at ambient conditions required by most biological systems has remained limited. Here we demonstrate a new all-optical method for measuring the molecular dipole moment difference between ground and excited states using two-photon absorption (2PA) spectroscopy. We show that the value and orientation of the static dipole moment difference can be determined from the corresponding absolute 2PA cross-section. We use this new method to determine for the first time the strength of local electric field E_loc=0.1-1.0×10⁸ V/cm inside beta-barrel of Fruit series of red fluorescent proteins. Because our method does not rely on external field and is applicable in liquid solutions, it is well suited for the study of biological systems.     

Effect of hydrostatic pressure on the electric permittivity and the density of liquid benzene derivatives

The pressure dependence of the electric permittivity and the density of a series of benzene derivative liquids was measured up to 100 MPa. [(?P ? ?¹)/?p]/[(dP ? d¹)/dP] was found to be linearly dependent on the dipole moment of the liquids.