High order Coriolis interactions in NO2

A small widespread Coriolis perturbation in the infrared bands of NO₂ has been quantitatively analyzed. The resonance which affects all levels which differ by two quanta in the bending vibration and one in the antisymmetric stretch has been included explicitly in the reanalysis of five infrared bands. This reanalysis has led to improved constants for the bands analyzed and five consistent values for the interaction parameter. Two theoretical estimates of this interaction parameter are also presented.     

Interaction strength and shape difference for the h9/2 and h11/2 configurations in163Tm

The strongly shape driving πh_9/2[541]l/2^? configuration with α=+1/2 exhibits some anomalous, and so far unexplained, features concerning the crossing frequency, ?ω_c, the aligned angular momentum, i_x, and interaction strength, at the alignment of the first pair of i_13/2 quasineutrons in several odd-Z rare earth-nuclei. The h_9/2[541]1/2^? and h_11/2[523]7/2^? bands have been studied in the stably deformed rare-earth nucleus¹⁶³Tm to investigate these features. A difference in band crossing frequency of ～ 80 keV between the two bands is found. Rotational bands built on these two configurations have been found to cross in the spin range I=25/2–29/2 ?. Theγ-decay pattern between the two bands is established in the crossing region and analysed in terms of a moderate shape difference between them. A theoretical estimate of the size of the interaction strength between the two bands is presented and compared to the experimental value. The observed band structure in¹⁶³Tm is very similar to that of¹⁶⁷Lu which has 2 protons and 2 neutrons in addition. This observation is discussed in relation to the similarity of the yrast bands of the two even-even “core” nuclei¹⁶²Er and¹⁶⁶Yb, for which theγ-transition energies are identical within ～0.2 keV below the vi_13/2 crossing.     

The photoelectron spectra of arsenic tribromide and arsenic triiodide

The vapor-phase HeI photoelectron spectra of AsBr₃, and AsI₃ have been measured using a spectrometer modified to accept solid samples at elevated temperatures. The interpretation of the low ionization potential bands is complicated by the spin-orbit interaction which occurs among the ion states. Non-empirical valence-electron molecular orbital wavefunctions of AsBr₃ and ASI₃ have been used with a semi-empirical spin-orbit Hamiltonian to give theoretical splitting patterns. The proposed assignments are based on the magnitudes of the splittings indicated by the calculations.     

The high-resolution infrared spectra of the ν2 and ν3 bands of HOCl

The infrared spectra of the a-type transitions of the ν₂ and ν₃ bands of HO³⁵Cl and HO³⁷Cl have been obtained under high resolution. Line assignments of both bands have been made, and the spectroscopic constants have been obtained for both bands using a Watson Hamiltonian. Lines of the K_a = 5 subband of the ν₂ band of the HO³⁵Cl molecule were found to be slightly shifted by an interaction with the K_a = 4 level of the 2ν₃ vibrational state. The b-type transitions permitted for both bands were too weak to observe. Relative intensities of selected lines of both bands have been measured, and empirical Herman-Wallis factors have been determined.     

High-resolution Fourier-transform infrared spectroscopy of the ν1 and ν8 fundamental bands of sulphur tetrafluoride (SF4)

The vibration-rotation spectra of the ν₁ and ν₈ fundamental bands of ³²SF₄ have been observed using Fourier-transform infrared spectroscopy. The band centre of the c-type ν₁ symmetric sulphur-equatorial-fluorine stretching vibration was observed at 891.6 cm^?1 and that for the b-type ν₈ asymmetric sulphur-equatorial-fluorine stretching vibration at 864.6 cm^?1. In total, 2044 rovibrational transitions have been assigned. Analysis of the spectra showed that the rotational states of the ν₁ = 1 and ν₈ = 1 upper vibrational levels are coupled by an a-type Coriolis interaction. This coupling has been treated both using perturbation theory and by the explicit inclusion of an appropriate Hamiltonian matrix element in a combined fit of the data for both bands. Spectroscopic parameters have been determined for the ground, ν₁ = 1 and ν₈ = 1 vibrational levels. Weaker transitions resulting from difference bands and the fundamental bands of the ³⁴SF₄ isotopomer have been identified but could not be assigned, because of the density of lines in the room-temperature spectrum. The possibility that discrepancies between the observed and predicted spectra of the ν₁ fundamental may result from either a Coriolis interaction with the states of another vibrational level, or the effects of intramolecular exchange of axial and equatorial fluorine atoms is considered. The discussion is supported by theoretical calculations which show that the likely path for intramolecular exchange is via a C _4v transition state.     

Electronic and vibrational absorption spectra in otwayite,a new nickel mineral

The optical absorption spectrum of Ni²⁺ ion in otwayite crystal has been studied at room and liquid nitrogen temperatures. From the nature and positions of the observed bands a successful interpretation of all the bands could be made assuming octahedral symmetry for the Ni²⁺ ion in the crystal. The splittings observed for the ³T_1g(F) band at liquid nitrogen temperature have been interpreted due to spin-orbit interaction. The observed band positions in the crystal have been fitted with four parameters B, CDq and ξ. NIR and IR spectra of the otwayite sample are presented. The fundamental vibrational modes of H₂O and CO^2-₃ ion are identified in the IR region. The bands observed in NIR spectrum are due to overtones and combination tones of water and carbonate ion.     

The infrared spectrum of 12C2HD: the bending states up to υ4 +υ5 =3

The infrared spectrum of ¹²C₂HD has been recorded at high resolution between 450 and 2100?cm^?1 by Fourier transform spectroscopy. The ν₄ and ν₅ bending fundamental bands together with overtones, combination bands and associated hot bands involving modes up to υ_tot?=?υ₄?+?υ₅?=?3 have been identified. Altogether, 43 vibrational bands have been analysed, leading to the spectroscopic characterization of the ground state and of 18 vibrationally excited states. They include all the components of the vibrational manifolds up to υ_tot?=?3, with the exception of the υ₄?=?3, ??=?±3 state. A simultaneous fit of all the assigned transitions has been performed. The adopted model includes vibration and rotation ?-type interaction resonances. The determined spectroscopic parameters reproduce the assigned wavenumber transitions with RMS values close to the estimated experimental uncertainties.     

Spectral features of polarized light absorption and anisotropy of a local field in the D ho discotic

The polarized IR absorption spectra of monodomain planar-oriented films of a discotic liquid crystal D _ho are obtained for the first time. The spectral effects induced by the resonance dipole-dipole interaction of molecules, which have been predicted earlier, were observed. It was found that molecular excitations in isotropic and liquid-crystal phases are mixed due to local-filed effects and this mixing affects the relative intensity and dichroism of the absorption bands. New methods were suggested for measuring the local-field parameters in the D _ho phase from intensities and positions of the polarized absorption bands taking into account the mixing of molecular excitations. The two-dimensional crystal lattice of molecular columns was shown to reduce the local-field anisotropy of this phase.     

Superdeformation in lead nuclei

For the first time, collective bands have been observed in the doubly-odd nucleus¹²⁴Cs. They are proposed to result in the coupling of an h_11/2 proton to h_11/2 and positive parity neutrons. The relative residual protonneutron interaction in¹²⁴Cs is calculated and compared to that of neighbouring odd-odd nuclei.     

Biexciton decay and multimagnon sideband in emission spectra of CsMnF3

Emission spectra of intrinsic and impurity-trapped excitons and their side- bands have been measured in CsMnF₃ by a polarized time-resolved spectroscopy. From a biexcitonic decay of an emission an exciton- exciton interaction was found to be very small in contrast with those of MnF₂ and KMnF₃. Multimagnon sidebands have been assigned with the aid of calculation of magnon density of states.     

Low frequency vibrations of 1,3-butadiene, 1,3-butadiene-d4, and 1,3-butadiene-d6

The absorption bands in the far infrared due to the torsional and in-plane skeletal bending vibrations have been examined in detail together with some mid-infrared bands. Torsional energy level spacings up to v₁₃ = 5 for butadiene and up to v₁₃ = 4 and 3, respectively, for the d₄- and d₆-compounds have been measured accurately, and the data used to investigate the nature of the potential function for rotation about the CC single bond. A Coriolis interaction between the torsion and the in-plane bending mode ν₂₄ has been analyzed in detail.     

Levels in 156Gd studied in the (n, γ) reaction

Levels up to 2.3 MeV in ¹⁵⁶Gd have been studied using the (n, γ) reaction. Energies and intensities of low-energy γ-rays and electrons emitted after thermal neutron capture have been measured with a curved-crystal spectrometer, Ge(Li) detectors and a magnetic electron spectrometer. High-energy (primary) γ-rays and electrons have been measured with Ge(Li) detectors and a magnetic spectrometer. The high-energy γ-ray spectrum has also been measured in thermal neutron capture in 2 keV resonance neutron capture. The neutron separation energy in ¹⁵⁶Gd was measured as S_n = 8535.8 ± 0.5 keV.About 600 transitions were observed of which ~50% could be placed in a level scheme containing more than 50 levels up to 2.3 MeV excitation energy. 42 of these levels were grouped into 15 excited bands. In addition to the β-band at 1050 keV we observe 0⁺ bands at 1168, 1715 and 1851 keV. Other positive-parity bands are: 1⁺ bands at 1966, 2027 and 2187 keV; 2⁺ bands at 1154 (γ-band) and 1828 keV; and 4⁺ bands at 1511 and 1861 keV. Negative-parity bands are observed at 1243 keV (1^?), 1366 keV (0^?), 1780 keV (2^?) and 2045 keV (4^?). Reduced E2 and E0 transition probabilities have been derived for many transitions. The ground band, the β- and γ-bands and the 0⁺ band at 1168 keV have been included in a phenomenological four-band mixing calculation, which reproduces well the experimental energies and E2 transition probabilities.The lowest three negative-parity (octupole) bands of which the 0^? and the 1^? bands are very strongly mixed, were included in a Coriolis-coupling analysis, which reproduces well the observed energies. The E1 transition probabilities to the ground band are also well reproduced, while those from the higher-lying 0⁺ bands to the octupole bands are not reproduced. Absolute and relative transition probabilities have been compared with predictions of the IBA model and the pairingplus-quadrupole model. Both models reproduce well the E2 transitions from the γ-band, while strong disagreements are found for the E2 transitions from the β-band. The IBA model predicts part of the decay features of the higher lying 2⁺₂, 4⁺₁ and 2^?₁ bands.     

Investigation of the IR spectra of weakly hydrogen-bonded complex Cl<Subscript>3</Subscript>CH…O(CD<Subscript>3</Subscript>)<Subscript>2</Subscript> in a cryosolution in liquid krypton

The IR absorption spectra of cryosolutions of chloroform, dimethyl ether, and their mixtures in liquefied krypton have been measured. It has been shown that, in solutions of mixtures, Cl₃CH…O(CD₃)₂ complexes with a weak hydrogen bond are formed. The spectral characteristics of individual absorption bands that refer to proton donors and to proton acceptors have been determined. From temperature measurements of the integrated intensities of the bands of monomers and of the complex (T ~ 120–160 K), the enthalpy of the complex formation has been estimated. The measurement data have been analyzed in comparison with the results of ab initio calculations in terms of the МР2/6-311++G(2df, 2pd) approximation. The analysis has been done taking into account peculiarities of the dipole moment function of chloroform and possible effects of the anharmonic interaction between the С–Н stretching vibration and the overtone of the Cl–C–H bending vibration.     

Fermi resonance in the spectrum of deuterated monofluoroacetylene

A strong Fermi resonance interaction between two Σ-type levels ν₂ and 2ν₃ of DCCF together with the corresponding resonance between the levels ν₂ + ν₃ and 3ν₃ has been observed. The rotational structure of the bands has been investigated in both the diads which are situated around 2100 and 3100 cm^?1. The molecular constants involved have been derived.     

Absorption spectra of NH4MnCl3 and NH4MnF3

The absorption spectra of NH₄MnCl₃ and NH₄MnF₃ crystals have been measured down to 10 K in the 250 to 600 nm region. The observed bands are assigned to electronic transitions from the ⁶A_1g(S) ground state to various excited levels of Mn²⁺ ions in an octahedral crystalline field. The position of the bands have been fitted within the strong crystal field scheme. Resulting parameters at room temperature are B=741, C=2990 and Dq=520 cm⁻¹ for NH₄MnCl₃ and B=800, C=3139 and Dq=694 cm⁻¹ for NH₄MnF₃. At low temperature some bands show a rich fine structure in which some phonon progressions have been identified.     

Carbon suboxide: The infrared spectrum from 1800 to 2600 cm−1

The infrared spectrum of carbon suboxide has been recorded from 1800 to 2600 cm^?1 at a resolution of 0.003 cm^?1. About 7% of the ca. 40 000 lines observed have been assigned and analyzed, belonging to 36 different bands. Most of these are associated with the fundamental ν₃, at 2289.80 cm^?1, and the combination band ν₂ + ν₄, at 2386.61 cm^?1, each of which give rise to a system of sum bands, difference bands, and hot bands involving the low-wave-number fundamental ν₇ at 18 cm^?1. A few other tentative assignments are made. The bands have been analyzed for vibrational and rotational constants.     

Structure and Anisotropy of the Superconducting Order Parameter in Ba<Subscript>0.65</Subscript>K<Subscript>0.35</Subscript>Fe<Subscript>2</Subscript>As<Subscript>2</Subscript> Probed by Andreev Spectroscopy

The superconducting order parameters in optimally doped Ba_0.65K_0.35Fe₂As₂ single crystals have been directly measured using multiple Andreev reflection effect spectroscopy of superconductor–normal metal–superconductor break-junctions. We determine two superconducting gaps, which are nodeless in the k _x k _y -plane of the momentum space, and resolve a substantial in-plane anisotropy of the large gap. The temperature dependences of the gaps indicate a strong coupling within the bands where Δ_L develops, a weak coupling in the condensate with the small gap Δ_S, and a moderate interband interaction between the two condensates. The own critical temperatures of both condensates have been estimated (under the hypotherical assumption of zero interband interaction).     

Features of the electronic spectrum and optical absorption of ultrathin Bi<Subscript>2</Subscript>Se<Subscript>3</Subscript> films

The electronic spectra and relative permittivity of ultrathin (1–3 QL) films of Bi₂Se₃ topological insulator have been calculated by the density functional theory. The calculated spectra exhibit a characteristic feature: the range of 0.0–0.9 eV below the Fermi level contains two doubly degenerate valence bands (“U-bands”), which are geometrically congruent to low-lying spectral branches in the conduction band. It has been shown that the saturation of optical absorption can result in a significant rearrangement of the electronic structure and properties in the near infrared spectral range in the considered film. In particular, the semiconductor (in the absence of interaction with light) type of conductivity of the film can be changed to the metallic type of conductivity strongly nonlinear in the intensity of light.     

High resolution infrared spectrum of the ν2 + ν3 and ν1 + ν2 bands of ozone

The vibration-rotation bands ν₁ + ν₂ and ν₂ + ν₃ of ozone appearing in the 5.7 μm region have been recorded at a resolution of 0.019 cm^?1 with a SISAM spectrometer. The rotational levels of the (110) and (011) vibrational states have been fitted using a Hamiltonian which takes into account the Coriolis interaction between these two states. The rotational and coupling constants deduced from this study have been used to calculate a list of the vibration-rotation lines which is of interest for high resolution studies of atmospheric spectra in the 1670–1890 cm^?1 region.     

NEUTRON SCATTERING AND LATTICE DYNAMICAL STUDIES OF THE HIGH-PRESSURE PHASE ICE (I)

Lattice dynamical calculations of ice VIII have been carried out by using a slightly modified set of force constants obtained recently for ice Ih (Li J C and Ross D K 1993 Nature 365 327). A weak interaction was introduced between the two interpenetrated sublattices in the ice VIII structure. The calculated results for H₂O and D₂O ice VIII are in reasonable agreement with the measured inelastic neutron scattering spectra. The eigenvectors of phonon modes in the range of translational and librational bands have been studied in order to understand the properties of the vibrational modes. It is found that the third peak at 26.7meV in the translation results from weak hydrogen bond interactions, and the first peak (14.7meV) is much higher than it is in ice Ih (～7.1meV), which is partially due to the interactions between the two sublattices.