The pure inversion spectrum of 14ND3 in the v2 = 1 state

The inversion spectrum of ¹⁴ND₃ in the v₂ = 1 state was investigated in the millimeter wave region 89–127 GHz. The inversion splitting (J = 0, K = 0) was calculated to be 106 354.355(32) MHz. The nitrogen quadrupole coupling constant, the K = 3 splitting constant, and the electric dipole moment were also determined.     

14N NMR in NH4I and NH4Br

¹⁴N magnetic resonance data show that the α → β transition in NH₄I is connected with a discontinuous change in the ¹⁴N chemical shift, Δδ = 20.5 ppm, whereas the order-disorder type β(O_h) → γ(D_4h) transition is accompanied by a small quadropole splitting of the ¹⁴N spectrum. A quadrupole splitting of the ¹⁴N line was as well found in the tetragonal “antiferromagnetically” ordered γ-phase of NH₄Br, but not in the “ferromagnetically” ordered δ(T_d) phase of NH₄Cl.     

Thermal unpinning of the modulation wave near TI in incommensurate Rb2ZnCl4 detected by 35Cl NQR

Thermal unpinning and floating of the incommensurate modulation wave produces in Rb₂ZnCl₄ close to the incommensurate-paraelectric transition T_I a partial motional averaging of the splitting between the two edge singularities in the ³⁵Cl nuclear quadrupole resonance spectrum. The mean square phase fluctuations are close to T_I proportional to (T_I ? T)^?2β with β = 0.39 ± 0.04.     

Radio of the nuclear electric quadrupole moments of 50V (I = 6) and 51V (I = 72)

In SmVO₄ the weak paramagnetism of the Sm³⁺ ions results in a very small paramagnetic shift of the vanadium nuclear resonance; the lines are narrow (?4 kHz) and there is no sign of saturation down to 1.7 K. The quadrupole splittings of the two nuclei have been measured at natural abundance in the same single crystal, giving the following value for the ratio of the nuclear electric quadrupole moments: ∥⁵⁰Q/⁵¹Q∥ = 4.07 (3). Values of ⁵¹Q = ?0.0515 (10) b and ⁵⁰Q = +0.209(6) b are suggested.     

Investigation of TmFe4Al8 and DyFe4Al8 by means of 169Tm and 161Dy Mössbauer spectroscopy

We have performed ¹⁶⁹Tm and ¹⁶¹Dy Mössbauer spectroscopy on TmFe₄Al₈ and DyFe₄Al₈. From the temperature dependence of the electric quadrupole splitting of the ¹⁶⁹Tm spectra of TmFe₄Al₈ we have determined the second order crystal field potential V⁰₂ = (100 ± 10) K and the exchange field term g_Jμ_BH_M = (1 ± 1) K. The temperature dependence of the hyperfine field of the ¹⁶¹Dy spectrum of DyFe₄Al₈ gives g_Jμ_BH_M = (15 ± 3) K. With these exchange fields magnetic transition temperatures of the rare earth sublattices were found, which are consistent with experiment. The relaxation behaviour of the Tm sublattice below T_N = 187 K is discussed.     

Hyperfine interaction of Eu in Eu2TiO4

The hyperfine interaction of ¹⁵¹Eu in Eu₂TiO₄ has been measured using the Mössbauer Effect. Using the four-fold symmetry of the Eu²⁺ site, it has been found that the nuclear quadrupole moment ratio of the first-excited to the ground states of ¹⁵¹Eu is R = 1.34 ±0.03, and the quadrupole interaction energy is ρ²qQ_o = -(190 ± 7) MHZ. Below T_c = 7.8K, the magnetic hyperfine field H_hf points close to the direction of the four-fold axis. The zero-degree value of H_hf is estimated to be (305 ± 3) kOe.     

ESR of Mn2+ in La2O3: Position and intensity of forbidden hyperfine lines

Position and intensity of (ΔM=1, Δm=1) forbidden hyperfine lines arising in the central transition of the Mn²⁺:La₂O₃ ESR spectrum are analyzed by means of the existing theories. This permitted us to determine the quadrupole coupling constant and the nuclear Zeeman term.     

Collective states in 48V

The low-lying positive parity states of ⁴⁸V have been studied in the framework of deformed configuration mixing model calculations based on projected Hartree-Fock theory, within the full fp shell space. The modified Kuo-Brown effective interaction has been used. The calculated spectrum and the electromagnetic properties of these states are in good agreement with the experiment. The calculation predicts an excited low-lying collective K = 2⁺ band in the spectrum of ⁴⁸V and accounts for the observed breakdown of the “signature” selection rule arising in the shell-model calculation within the ($\text{f}\text{7}\text{2}\text{)}{}^{\mathrm{nd}}$ space. It does not favour a 5⁺ assignment to the observed 1.099 MeV level. Two sets of proton and neutron effective charges (i) e_p = 1.32e and e_n = 0.89e and (ii) Kuo and Osnes charges e_p = 1.25e and e_n = 0.47e were employed. The observed decay properties appear to favour the latter charges. Our model also explains in a semiquantitative way the observed K-value, moment of inertia parameter and the intrinsic quadrupole moment of the K = 1^?1 rotational band.     

Ground state properties of CsCoCl3

The electronic spectra of CsCoCl₃ are fit to a Hamiltonian that includes terms for interelectron repulsion, octahedral and trigonal crystal fields, and spin-orbit coupling. The fit adequately accounts for both the optical spectrum and the electronic Raman spectrum. The fitted parameters give empirical estimates of the radial expectation values 〈r^?1〉 and 〈r^?3〉 as well as the charge on the cobalt. The ground state wave functions generated from the fit are used to calculate the following properties: parallel and perpendicular g factors, Co hyperfine field, ⁵⁹Co quadrupole splitting, anisotropy of magnetic exchange, the magnetic moment of Co²⁺, and the spin flop field. The agreement between calculated values and observed values for this variety of independently obtained properties is reasonable in all cases.     

The electric quadrupole transition L2M3(β17) in the X-ray emission spectrum of erbium

A new diagram line corresponding to the electric quadrupole transition L₂M₃(β₁₇) in the X-ray emission spectrum of erbium is reported at λ = 1658.25 X.U., using a 40 cm curved mica crystal spectrograph of transmission type.     

Absorption spectrum of Cs2Mg(SO4)2 · 6H2O:Ni2+ single crystals

The absorption spectrum of Ni²⁺ doped in Cs₂Mg(SO₄)₂ · 6H₂O single crystals has been studied at room and liquid nitrogen temperatures in the range 7000–34000 cm^?1. The observed spectrum is satisfactorily interpreted in terms of cubic ligand field model including spin-orbit coulping. The ligand field parameters evaluated to best fit the observed spectrum are B = 955 cm^?1, C = 3572 cm^?1, Dq = 910 cm^?1 and ξ = 550 cm^?1. The non-ligand field band observed at 77K has been interpreted to be the superposition of vabrational mode of SO₄^2? radical on ₃T_1g(F) band.     

Cluster calculation of electronic structure and hyperfine interactions for α-Fe2O3

The MSX_α cluster technique has been used to study the electronic structure of hematite α-Fe₂O₃, where iron is formally in a 3d₅⁶S state. The calculated energy levels are compared with X-ray emission and photoelectron spectra. The wave functions have been used to compute the charge distribution, as well as hyperfine parameters such as quadrupole coupling constant, isomer shift and magnetic hyperfine field. The results indicate a considerable influence of chemical bonding on these parameters due to charge transfer and covalency. From the calculated field gradient and the measured quadrupole coupling constant a nuclear quadrupole moment for ^57mTe of about 0.11b is deduced. This value is smaller than the most recent estimates of 0.15b based on the ionic model but not as small as the value of 0.082b obtained from first principles calculations on iron dihalides.     

Mössbauer study of Na0.82Co0.99Fe0.01O2

We studied by Mössbauer spectroscopy the Na_0.82CoO₂ compound using 1% ⁵⁷Fe as a local probe which substitutes for the Co ions. Mössbauer spectra at T=300 K revealed two sites which correspond to Fe³⁺ and Fe⁴⁺. The existence of two distinct values of the quadrupole splitting instead of a continuous distribution should be related with the charge ordering of Co⁺³, Co⁺⁴ ions and ion ordering of Na(1) and Na(2). Below T=10 K part of the spectrum area, corresponding to Fe⁴⁺ and all of Fe³⁺, displays broad magnetically split spectra arising either from short-range magnetic correlations or from slow electronic spin relaxation.     

The millimeter wave rotational spectrum of N-cyanomethanimine,CH2NCN

The rotational spectrum of the short-lived species N-cyanomethanimine, CH₂NCN, has been measured in the frequency range 100–250 GHz. The observed transitions allow the determination of the rotational and centrifugal distortion constants and the nitrogen quadrupole coupling constants for both nitrogen nuclei. The N-cyanomethanimine spectrum was measured directly in the products of the pyrolysis of trimethylenetetrazole. The rotational constants obtained are A = 63 372.995(11) MHz, B = 5 449.347 90(28) MHz, and C = 5 009.559 86(29) MHz; the quadrupole coupling constants are χ_aa = 2.057(39) MHz and χ_bb ? χ_cc = ?7.205(21) MHz for the imine nitrogen, and χ_aa = ?3.264(33) MHz and χ_bb ? χ_cc = ?1.630(18) MHz for the cyano-group nitrogen. The accurate constants obtained allow the calculation of the line position and hyperfine structure of any rotational transition appropriate for a radioastronomical search.     

Al NMR studies of NpPd5Al2

We present ²⁷Al NMR studies for a single crystal of the Np-based superconductor NpPd₅Al₂. We have observed a five-line ²⁷Al NMR spectrum with a center line and four satellite lines separated by first-order nuclear quadrupole splittings. The Knight shift clearly drops below T_c. The temperature dependence of the ²⁷Al nuclear spin-lattice relaxation rate shows no coherence peak below T_c, indicating that NpPd₅Al₂ is an unconventional superconductor with an anisotropic gap. The analysis of the present NMR data provides evidence for strong-coupling d-wave superconductivity in NpPd₅Al₂.     

The 14N quadrupole coupling constants and barrier to internal rotation of ethylcyanide-d5

The microwave spectrum of ethylcyanide-d₅ has been recorded from 18.0 to 40.0 GHz. Both a-type and b-type transitions were observed and assigned. Also, the R-branch assignments have been made for three excited states of the internal torsional mode and two excited states of the CN inplane bending mode as well as an excited vibrational state involving both of these motions. The barrier to internal rotation was determined to be 3.00 ± 0.15 kcal/mole from the E, A splittings of the third excited state. The quadrupole coupling constants of the¹⁴N nucleus were found to have values of ?3.213, 1.168, and 2.045 MHz for χ_aa, χ_bb, and χ_cc, respectively. These results are compared to those previously obtained on the corresponding hydrogen compound.     

Possible evidence for shape isomeric γ-decay in μ− atoms of 238U

A search for the γ-decay of the shape isomer in muonic ²³⁸U excited by radiationless transitions has been performed. Seven delayed transitions in the energy region of 700 to 3200 keV have been observed with a large Ge(Li) detector. Two transitions with E_γ = 2215 and 3131 keV have been attributed to the decay of the shape isomeric state into levels in the first well. The isomeric shift of the second minimum E₁₁ ≈ 600 keV in the presence of the muon and the decrease of the lifetime of the shape isomer to τ = 12 ± 2 ns give arguments in favour of the connection of shape isomerism with large quadrupole deformations.     

Analysis of the ν9 and ν10 bands of cyclopropane

The infrared spectrum of gaseous cyclopropane has been measured in the regions 980–1080 and 1400–1500 cm^?1, containing the ν₁₀ and ν₉E′ fundamental bands, respectively, using a high-resolution Fourier transform instrument. Deconvolution was used to enhance the resolution in the crowded parts of the spectrum to ～0.0020–0.0025 cm^?1. Apart from the rotational l-resonance affecting mainly the low-K subbands, the ν₉ band is strongly perturbed by Fermi resonance with the 2ν₁₄² state lying ～41 cm^?1 above. The effects of the Fermi resonance are most pronounced in the high-KΔK = +1 subbands as the 2ν₁₄^?2 levels would cross the ν₉⁺ levels near K = 30. ^rR lines of 2ν₁₄^?2 for K = 24 to 36, enhanced by the resonance, have been identified in the region 1469–1475 cm^?1 of the spectrum. Two extra perturbation-enhanced subbands are found adjacent to the K = 16?17 and K = 17?16 subbands of ν₉: these have been ascribed to the K = 18?17 transitions in 2ν₁₄^?2 and to the K = 19?16 transitions in $\text{ν}{}_2\text{2ν}{}_{14}{}^0$, respectively, as their upper states coincide with the corresponding levels ν₉^?(K = 16) and ν₉⁺(K = 17). A combination of l-resonance and Fermi resonance is mainly responsible for the interactions causing the perturbations and appearance of the extra subbands, but a direct rotational interaction 〈ν₉^?(K)|h₃|2ν₁₄^?2(K + 2)〉 also had to be introduced to accurately account for the observations. In contrast, the ν₁₀ band is not appreciably perturbed by other states and merely exhibits effects of strong l-resonance in the low-K subbands, and K-doubling of the high-J lines of the K = 2–3 subband. A detailed analysis of the spectrum and of the perturbations is described and sets of accurate spectroscopic constants are reported for ν₁₀ and ν₉ as well as for the perturbing state 2ν₁₄², which reproduce 3020 observed lines of the ν₁₀ band with a standard deviation of 0.0008 cm^?1 and 1810 lines of ν₉ with a standard deviation of 0.0010 cm^?1.     

Analysis of the ν3 and ν1 infrared bands of GeH4

The high-resolution infrared spectrum of GeH₄ in the region 2020 to 2200 cm^?1 was analyzed. Most of the observed lines were assigned to transitions of the ν₃ and ν₁ bands of the five naturally occurring isotopic species. The spectrum was fitted by diagonalizing the v₃ = 1 and v₁ = 1 Hamiltonians coupled by the dominant vibration-rotation interaction term. For each isotopic species, about 100 transitions were fitted with an overall standard deviation of 0.006 cm^?1, using only 10 adjustable parameters. The five sets of parameters obtained are consistent with the expected isotope effects.     

Light-induced charge transfer processes in Mn-doped Bi12GeO20 and Bi12SiO20 single crystals

The optical absorption and ESR spectra of Bi₁₂GeO₂₀ and B₁₂SiO₂₀ doped with Mn have been measured before and after illumination with visible light. Uniaxial stress measurements on a sharp line observed at 8026 cm^?1 were performed. The observed ESR spectrum is a superposition of six lines resulting from the hyperfine interaction of manganese ions in tetrahedral positions. The g-factor and hyperfine constant are g = 1.999 ± 0.003 and A = 78 Gs. Analysis of the light-induced absorption spectrum leads to the conclusion that a small hole polaron bound to an Mn impurity at a tetrahedral site is responsible for the very broad absorption band which appears after illumination. The sharp line is interpreted as due to a transition inside the Mn⁺ center in tetrahedral coordination. Bands in the region 10,000–16,000 cm^?1 are due to Mn³⁺ centers in interstitial positions, whose symmetry can be treated to a first approximation as tetragonal. The following crystal field parameters for this center were found: B = 565 cm^?1, Dq = 1400 cm^?1, Dt = ?330 cm^?1, Ds = 4170 cm^?1 and C = 2260 cm^?1. The illumination conditions which are needed for homogeneous coloration of the sample are also discussed.