The emission spectrum of B2

The emission spectrum of B₂ was reinvestigated under high resolution. Six bands of ¹¹B₂ (0-0, 1-1, 1-0, 2-1, 3-2, and 0–1) as well as four bands of ¹⁰B¹¹B (0-0, 1-0, 2-1, and 3-2) were rotationally analysed. Accurate rotational and vibrational constants were obtained. The triplet character of the transition (${}^3\text{Σ}{}_{\mathrm{u}}{}^{\mathrm{?}}\text{-X}{}^3\text{Σ}{}_{\mathrm{g}}{}^{\mathrm{?}}$) was unambiguously established for the first time and spin-spin interaction constant is obtained for the excited state.     

Electron transport properties of amorphous Mg80.4Cu19.6 alloy

The Hall coefficient, thermoelectric power and electrical resistivity of the liquid quenched amorphous Mg_80.4Cu_19.6 alloy have been measured over a wide temperature range below room temperature. The 2k_F value deduced from the observed Hall coefficient agrees well with the free electron value. The thermoelectric power is positive and increases linearly with increasing temperature above approximately 180 K. The downward deviation is evident in the lower temperature range. This behaviour is in sharp contrast with the negative thermoelectric power observed in the amorphous Mg-Zn alloy. Nevertheless, the overall temperature variation of the electrical resistivity resembles the previously reported data of the amorphous Mg_72.5Zn_27.5 alloy in various aspects; (1) the room temperature resistivity value, (2) the negative TCR and its magnitude, (3) the appearance of a broad maximum at about 50 K and a minimum at about 10 K and (4) T²-dependence in the range of 10～30 K and $\text{-(T-T}{}_{\max }\text{)}{}^{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}$-dependence in the range of 50～220 K. The results are discussed in connection with $\text{2k}{}_{\mathrm{F}}\text{K}{}_{\mathrm{P}}$ criterion and Mooij correlation.     

A Mössbauer study of amorphous Fe40Ni40B20

Amorphous Fe₄₀Ni₄₀B₂₀ (VITROVAC 0040) alloy has been investigated using ⁵⁷Fe Mössbauer Spectroscopy. The Curie temperature T_c is found to be well defined and is 695 ± 1 K. The quadrupole splitting just above T_c is 0.64 mm sec^?1. The crystallization temperature is 698 ± 2 K, close to but definitely above T_c. The average hyperfine field H_eff(T) of the glassy state shows a temperature dependence of $\text{H}{}_{\mathrm{<mtext>eff</mtext>}}\text{(0)[1 ? B}{}_{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}\text{(T/T}{}_{\mathrm{c}}\text{)}{}^{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}\text{? C}{}_{\mathrm{<mtext>5</mtext><mtext>2</mtext>}}\text{(T/T}{}_{\mathrm{c}}\text{)}{}^{\mathrm{<mtext>5</mtext><mtext>2</mtext>}}\text{? …]}$ indicative of the existence of spin wave excitations. The values of $\text{B}{}_{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}$ and $\text{C}{}_{\mathrm{<mtext>5</mtext><mtext>2</mtext>}}$ are found to be 0.40 and 0.06, respectively, for T/T_c ? 0.72. At temperatures close to T_c, H_eff(T) varies as (1 ? T/T_c)^β where β is one of the critical exponents and its value is found to be 0.29 ± 0.02.     

Magnetic phase transitions,anisotropic susceptibility and dipolar interactions in antiferromagnetic MnNb2O6

The magnetic properties of MnNb₂O₆ single crystals have been studied in the temperature range 1.6–300 K (T_N = 4.4 K), in fields up to 220 kOe. The high field saturation at low temperature, as well as the paramagnetic susceptibility at high temperature, agree well with a ${}^6\text{S}{}_{\mathrm{<mtext>5</mtext><mtext>2</mtext>}}$ state for Mn²⁺ ions. From 1.6 to 3.8 K a spin flop is induced by fields ranging from 17 to 21 kOe, applied in the direction of the a-axis. Elements of the magnetic susceptibility tensors up to rank 12, measured below the spin flop field, are in accordance with a magnetic anisotropy originating mainly from magnetic dipolar interactions.     

Spin determinations from the 58Ni(d→, α)56Co reaction at 80 MeV

Vector analyzing power angular distributions for the ${}^{58}\text{Ni}\text{(}\text{d}\text{→}\text{,a)}{}^{56}\text{Co}$ reaction have been measured at 80 MeV bombarding energy. They exhibit large differences between the possible transferred total angular momenta J=L+1, J=L and J=L ? 1, thus allowing unique spin determinations of the levels in the residual nucleus ⁵⁶Co. This has led to new spin assignments for the following high-spin states in ${}^{56}\text{Co}\text{: 3.54}\text{MeV}\text{, 7}{}^{\mathrm{+}}\text{; 4.44}\text{MeV}\text{, 7}{}^{\mathrm{+}}\text{; 5.14}\text{MeV}\text{, 5}{}^{\mathrm{+}}$.     

Resolution of the discrepancies concerning the optical and microwave values for B0 and D0 of the X 3Σg− state of O2

The discrepancies concerning the optical and microwave values of B₀ and D₀ for the X${}^3\text{Σ}{}_{\mathrm{g}}{}^{\mathrm{?}}$ state of O₂ have been removed by a nonlinear least-squares fit to all of the lines of the O₂, $\text{b}{}^1\text{Σ}{}_{\mathrm{g}}{}^{\mathrm{+}}\text{-X}{}^3\text{Σ}{}_{\mathrm{g}}{}^{\mathrm{?}}$ Red Atmospheric bands recorded by Babcock and Herzberg (Astrophys. J., 108, 167, 1948). The resulting values for B₀″ and D₀″ are in excellent agreement with the Raman and microwave values. Improved values are determined for B₁″, D₁″, γ₁″ (spin-rotation), and ?₁″ (spin-spin). Both γ_v″ and ?_v″ increase in magnitude from v″ = 0 to v″ = 1. Improved Dunham Y_i0 and Y_i1 expansion coefficients are determined for the $\text{b}{}^1\text{Σ}{}_{\mathrm{g}}{}^{\mathrm{+}}$ state, from which the Rydberg-Klein-Rees potential is constructed.     

Electrical conductivity of LiNbWO6

The electrical conductivity of polycrystalline LiNbWO₆, which has a trirutile structure, was studied by the ac impedance method and dc resistance measurement. From the results, the following is clear; LiNbWO₆ is a lithium ionic conductor, its electrical conductivity at 150°C is $\text{1.8 × 10}{}^{\mathrm{?6}}\text{Ω}{}^{\mathrm{?1}}\text{cm}{}^{\mathrm{?1}}$ and the electronic transference number is about 0.03.     

Rotational analysis and radiative lifetime measurement on the 2B1 (K′ = 0) excited state of NO2 with v′2 = 6, 7, 8, and 9

The rotational structure of the ²B₁ (K′ = 0) subbands of NO₂ with v′₂ = 6, 7, 8, and 9 were analyzed by means of the time-gated excitation spectrum. The excitation spectrum monitored at ν₂, 2ν₂, or 3ν₂ fluorescence band was fairly simplified in comparison to its corresponding absorption spectrum. The band origins and rotational constants are evaluated from the observed data: ν₀ = 20205.0 cm^?1, $\text{B}\text{′ = 0.374}\text{cm}{}^{\mathrm{?1}}$ for v′₂ = 6; ν₀ = 21104.4 cm^?1, $\text{B}\text{′ = 0.374}\text{cm}{}^{\mathrm{?1}}$ for v′₂ = 7; ν₀ = 22001.9 cm^?1, $\text{B}\text{′ = 0.375}\text{cm}{}^{\mathrm{?1}}$ for v′₂ = 8ν₀ = 22898.0 cm^?1, $\text{B}\text{′ = 0.375}\text{cm}{}^{\mathrm{?1}}$ for v′₂ = 9. The value of $\text{B}\text{′}$ extrapolated to v′ = 0 is 0.370 cm^?1. This value corresponds to the bond length of 1.19 Å. Fluorescence decays of these excited levels were also studied. Radiative lifetimes obtained by extrapolation to zero pressure from the $\text{1}\text{τ}\text{– P}$ plots were 25–40 μsec. The short-lived excited levels previously reported by some authors were not found.     

Absorption spectra of Ni2+ in (NH4)2Mg(SO4)2·6H2O and Co2+ in Na2Zn(SO4)2·4H2O

Optical absorption spectra of Ni²⁺ in (NH₄)₂Mg(SO₄)₂·6H₂O and Co²⁺ in Na₂Zn(SO₄)₂·4H₂O single crystals have been studied at room and liquid nitrogen temperatures. From the nature and position of the observed bands, a successful interpretation could be made assuming octahedral symmetry for both the ions in the crystals. The splitting observed for ${}^3\text{T}{}_{\mathrm{1g}}\text{(F)}$ band in Ni²⁺ and ${}^4\text{T}{}_{\mathrm{2g}}\text{(F)}$ band in Co²⁺ at liquid nitrogen temperature have been explained as due to spin-orbit interaction. The extra band observed at 16,325 cm^-1 in the case of Ni²⁺ at low temperature has been interpreted to be the superposition of vibrational mode of SO^2-₄ radical on ${}^3\text{T}{}_{\mathrm{1g}}\text{(F)}$ band. The observed band positions in both the crystals have been fitted with four parameters B, C, Dq and ζ.     

Strengths and lorentz broadening coefficients for spectral lines in the ν3 and ν2 + ν4 bands of 12CH4 and 13CH4

Line strengths and self- and nitrogen-broadened half-widths were measured for spectral lines in the ν₃ and ν₂ + ν₄ bands of ¹²CH₄ and ¹³CH₄ from 2870–2883 cm^?1 using a tunable diode laser spectrometer. From measurements made over a temperature range from 215 to 297 K, on samples of ¹²CH₄ broadened with N₂, we deduced that the average temperature coefficients n, defined as $\text{b}{}_{\mathrm{<mtext>L</mtext>}}{}^0\text{(T) = b}{}_{\mathrm{<mtext>L</mtext>}}{}^0\text{(T}{}_0\text{)(}\text{T}\text{T}{}_0\text{)}{}^{\mathrm{?n}}$, of the Lorentz broadening coefficients for the ν₃ and ν₂ + ν₄ bands of ¹²CH₄ were 0.97 ± 0.03 and 0.89 ± 0.04, respectively. A smaller increase is observed in line half-width with increasing pressure for E-species lines, for both self- and nitrogen-broadening, than for other symmetry species lines over the range of pressures measured, 70 to 100 Torr.     

Analysis of the Raman spectrum of SF6

The Raman active fundamentals ν₁(A1g), ν₂(Eg), ν₅(F2g), and the overtone 2ν₆ of SF₆ have been investigated with a higher resolution and the band origins were estimated to be: ν₁ = 774.53 cm^?1, ν₂ = 643.35 cm^?1, ν₅ = 523.5 cm^?1, and 2ν₆ = 693.8 cm^?1. Raman and infrared data have been combined for estimation of several anharmonicity constants. The ν₆ fundamental frequency is calculated as 347.0 cm^?1. From the analysis of the ν₂ Raman band, the following rotational constants of both the ground and upper states have been calculated:

$\text{B}{}_0\text{= 0.09111 ± 0.00005}\text{cm}{}^{\mathrm{?1}}\text{; D}{}_0\text{= (0.16±0.08)10}{}^{\mathrm{?7}}\text{cm}{}^{\mathrm{?1}}$

;

$\text{B}{}_2\text{= 0.09116 ± 0.00005}\text{cm}{}^{\mathrm{?1}}\text{; D}{}_2\text{= (0.18±0.04)10}{}^{\mathrm{?7}}\text{cm}{}^{\mathrm{?1}}$

.     

Elastic constants of LaB6 at room temperature

Measurements have been made of the transit times of pulses of longitudinal and transverse ultrasonic waves propagating in single crystal LaB₆ at room temperature. A unique set of values for the three independent elastic constants has been calculated from the resultant velocities and is; C₁₁ = (45.33 ± 0.11) × 10¹¹dynecm^-2, $\text{C}{}_{12}\text{= (1.82 ± 0.17) × 10}{}^{11}\text{dyne}\text{cm}{}^2$ and C₄₄ = (9.01 ± 0.05) × 10¹¹dyne/cm². The Debye temperature of LaB₆ from these measurements is 773 K, which agrees relatively well with the X-ray Debye temperature, however, differs much from the calorimetric and electrical resistance Debye temperatures.     

Charge density wave commensurability in 2H-TaS2 and AgxTaS2

The charge density wave transition in 2H-TaS₂near 75 K has been observed to be incommensurate, using electron diffraction, with $\text{q}{}^1\text{= (}\text{0.338}\text{±}\text{0.002}\text{)a}{}^1{}_0$ along the 〈10.0〉 directions which, within the experimental uncertainty, remains temperature independent to about 14 K. Incommensurate charge density formation is also observed in Ag_xTaS₂ samples for $\text{x?}\text{0.26}$ with an increase in q¹ to $\text{(}\text{0.347}\text{±}\text{0.002}\text{)a}{}^1{}_0$ when x?0.26. Within the experimental error q¹ appears to be temperature independent to 25 K.     

Electronic spectra of azanaphthalenes: Mixed crystal spectra of quinoxaline and quinoxaline-d6

The following spectra have been measured at 4 K, in three polarizations: ${}^1\text{B}{}_1\text{(n,π}{}^1\text{) ←}{}^1\text{A}{}_1$ absorption of quinoxaline in durene, durene-d₁₄, naphthalene and naphthalene-d₁₀, and of quinoxaline-d₆ in durene and naphthalene. The polarized phosphorescence of quinoxaline-d₆ in durene is also recorded.The analyses permit unusually extensive assignments of excited state vibrational frequencies. Also noted are various crystal effects: isotope shifts, modification of molecular frequencies, prominence of Herzberg-Teller origins, site splittings, effects of perdeuterated hosts, and polarization ratios. An unusual line-splitting seen in durene is analyzed as a resonance between coincident a₁ and b₁ vibrations of the quinoxaline molecule, coupled through the exciton bands of the host.     

Molecular constants for the I1Πg and J1Δg states of the 3d complex in H2, HD,and D2

The experimental rovibronic energies of the 3dπI¹Π_g^? and 3dδJ¹Δ_g^? states of H₂ and D₂ (v = 0–4 and N = 1–11) have been fitted by rovibronic constants, including L-uncoupling through constants B_v^ΠΔ and D_v^ΠΔ. Comparison of the constants obtained for H₂ and D₂ yields information on the Born-Oppenheimer and adiabatic electronic energies T_e^BO and T_e^AD, and on the diagonal corrections for nuclear motion. T_e^BO derived from experiment for the I¹Π_g state lies 2 cm^?1 below the ab initio calculation of Ko?os and Rychlewski (J. Mol. Spectrosc., 66, 428–440 (1977). The nuclear mass dependence of the ω_e and B_e values in H₂ and D₂ deviates from simple isotope relationships but agrees with expectations based on the R-dependence of the diagonal corrections for nuclear motion through the term $\text{〈L}{}^2\text{?2}\text{Λ}{}^2\text{〉}\text{2μR}{}^2$, i.e., $\text{+2}\text{μR}{}^2$ for 3dπ and $\text{?1}\text{μR}{}^2$ for 3dδ.     

Magnetic circular dichroism of transition metal ions in solids—II K2NaGaF6: Cr3+

The absorption and MCD spectra of the ${}^4\text{A}{}_{\mathrm{2g}}\text{→}{}^4\text{T}{}_{\mathrm{2g}}$, ${}^4\text{A}{}_{\mathrm{2g}}$, ${}^4\text{A}{}_{\mathrm{2g}}\text{→}{}^4\text{T}{}_{\mathrm{1g}}{}^{\mathrm{a}}$ and ${}^4\text{A}{}_{\mathrm{2g}}\text{→}{}^4\text{T}{}_{\mathrm{1g}}{}^{\mathrm{b}}$ spin-allowed transitions of Cr³⁺ in K₂NaGaF₆ are reported. It is shown that transitions to the ${}^4\text{T}{}_{\mathrm{1g}}$. states are induced by T_1u vibratio the other spin-allowed transition, ${}^4\text{A}{}_{\mathrm{2g}}\text{→}{}^4\text{T}{}_{\mathrm{2g}}$, there are three competing intensity mechanisms: electric dipole induced by T_1u vibrations, electric dipole induced by T_2u vibrations and magnetic dipole, and an estimate is made of the relative importance of these. The magnetic dipole ${}^4\text{A}{}_{\mathrm{2g}}\text{→}{}^2\text{E}{}_{\mathrm{g}}$ zero-phonon line is observed to be accompanied by a vibrational sideband for which the coupling is predominantly with T_2u vibrations. Other weak transitions are observed in MCD spectra and their origin briefly discussed.     

Ni2+ emission in MgO,KMgF3, KZnF3 and MgF2

The emission of Ni²⁺ ions in MgO, KMgF₃, KZnF₃ and MgF₂ crystals has been investigated. The fine structure on the bands at about 20 000 cm^-1 and 13 000 cm^-1 has been studied in detail and from this and the excitation spectra these bands are assigned to ${}^1\text{T}{}_{\mathrm{2g}}\text{→}{}^3\text{A}{}_{\mathrm{2g}}$ and ${}^1\text{T}{}_{\mathrm{2g}}\text{→}{}^3\text{T}{}_{\mathrm{2g}}$ transitions respectively.     

Medium-spin levels and the character of the 20.4 ns 132+ isomer in 145Gd

Levels of the N = 81 nucleus ¹⁴⁵Gd have been investigated by in-beam γ-ray and conversion electron spectroscopy with the ¹⁴⁴Sm(³He, 2n) reaction. Fourteen new low- and medium-spin states between 1.0 and 2.4 MeV excitation, the known yrast levels up to spin $\text{21}\text{2}{}^{\mathrm{+}}$, five other high-spin non-yrast states and a new 20.4 ns $\text{13}\text{2}$ isomer at 2200.2 keV in ¹⁴⁵Gd have been observed. The isomer decays via a fast 927.3 keV E3 transition with B(E3) = 48 ± 7 W.u. Another weaker decay branch is a mixed, strongly hindered E1 + M2 + E3 transition to the $\text{v}\text{h}{}^{\mathrm{?1}}{}_{\mathrm{<mtext>11</mtext><mtext>2</mtext>}}$ state. We propose an octupole $\text{v}\text{f}{}_{\mathrm{<mtext>7</mtext><mtext>2</mtext>}}\text{j}{}^{\mathrm{?2}}\text{× 3}{}^{\mathrm{?}}$ main configuration for the isomer, analogous to the 997 keV $\text{13}\text{2}{}^{\mathrm{+}}$ isomer in ¹⁴⁷Gd. The levels of ¹⁴⁵Gd are discussed on the basis of the spherical shell model.     

Magnetic moment of the 72+[404] ground state of 10.5 h 175Ta

The magnetic hyperfine splitting ν_M = |gμ_NB_HF/h| of ${}^{175}\text{Ta}\text{(J}{}^{\mathrm{\pi }}\text{=}\text{7}\text{2}{}^{\mathrm{+}}$; $\text{T}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}\text{= 10.5}\text{h}\text{)}$ in Fe has been measured with the technique of nuclear magnetic resonance on oriented nuclei as 320.4(1) MHz. With the known hyperfine field $\text{B}{}_{\mathrm{<mtext>HF</mtext>}}\text{(}\text{Ta}\text{Fe}\text{) = ?648(13)}\text{kG}$ the magnetic moment of the $\text{7}\text{2}{}^{\mathrm{+}}\text{[404]}$ ground state of ¹⁷⁵Ta is deduced to be $\text{¦μ¦ = 2.27(5)μ}{}_{\mathrm{<mtext>N</mtext>}}$.     

Some effects of spin-orbit interaction on rotational levels and rotational line intensities in vibrationally unexcited 2A, 2E, and 2F electronic states of open-shell XY4 molecules

Rotational energy levels in vibronic ground states of ²A, ²E, and ²F electronic states of open-shell XY₄ molecules, as well as rotational line intensities for allowed transitions between such states, are discussed, including the effects of spin-orbit interaction and tetrahedral splittings. Jahn-Teller effects are assumed to be small, and are only taken into account implicitly, through their contributions to various parameters in the effective Hamiltonian. Qualitative information is obtained by considering several limiting-case coupling schemes among the electron spin angular momentum S, the electron orbital angular momentum L, and the pure rotational angular momentum R. These limiting cases are similar in spirit to Hund's coupling cases in diatomic molecules, but differ sufficiently from the latter to make detailed correspondences unhelpful. Quantitative information on rotational energy levels and line intensities is obtained numerically by diagonalizing a Hamiltonian matrix set up in a basis set characterized by uncoupled moleculefixed projections of S, L, and the total angular momentum J, and symmetrized so that all basis set functions belong to a definite species in the subgroup D_2d of the true point group T_d. Hamiltonian matrix elements are determined by ladder operator techniques. Three sample calculated spectra, corresponding to $\text{p(}{}^2\text{F}{}_2\text{)-s(}{}^2\text{A}{}_1\text{)}$, $\text{d(}{}^2\text{E)-p(}{}^2\text{F}{}_2\text{)}$, and $\text{d(}{}^2\text{F}{}_2\text{)-p(}{}^2\text{F}{}_2\text{)}$ are presented. As one might expect, when the spin-orbit constant A is set equal to zero, then both qualitative and quantitative aspects of the rotational-electronic problem in open-shell XY₄ molecules can be mapped easily onto discussions of the rotation-vibration problem from the CH₄ literature.