High-resolution Fourier spectroscopy of 14N2 and 15N2 infrared emission spectrum: Analysis of the B′3Σu−-B3Πg system

The rotational analysis of some bands of the B′³Σ_u^?-B³Π_g system of nitrogen (¹⁴N₂ and ¹⁵N₂) excited in a microwave discharge and recorded under high resolution with a Fourier transform interferometer allowed the determination of molecular constants for the v = 0, 1, 2 levels in the B′³Σ_u^? state. Main equilibrium constants of the B′³Σ_u^? state for ¹⁴N₂ and ¹⁵N₂ are (in cm^?1) T_e = 5789.2178 (relative to B³Π_g (v = 0); ω_e = 1516.6239; ω_ex_e = 11.9721; B_e = 1.473 098; α_B = 0.01 664; ω_eⁱ = 1465.3549; ω_ex_eⁱ = 11.1783; B_eⁱ = 1.375 209; α_Bⁱ = 0.01 505.     

Electronic transition dipole moment functions and difference potentials for transitions among low-lying states of Li2 and Na2

Electronic transition dipole moment functions based on ab initio multiconfiguration self-consistent field wavefunctions are computed for the transitions ¹Σ_u⁺-¹Σ_g⁺, ³Σ_g⁺-³Σ_u⁺, ¹Π_u-¹Σ_g⁺, ³Π_g-³Σ_u⁺, ¹Σ_u⁺-¹Π_g, ³Σ_g⁺-³Π_u, ¹Π_u-¹Π_g, and ³Π_g-³Π_u in Li₂ and Na₂. (In each case the states are the lowest lying of their symmetry.) We also calculate the matrix element 〈³Σ_u⁺|i(L_x - iL_y)|³Π_u〉 for the predissociation of the ³Π_u state by the ³Σ_u⁺ state. Several unobserved spectral features are predicted.     

Comparative study of the semiempirical three-parameter potential energy functions for diatomic molecules

A comparative study is made of four three-parameter semiempirical potential energy functions for 32 electronic states of diatomic molecules and their ions:n ₂:X¹gS _g ⁺ ,B ³π_g,A ³ gS_u,C ³ _u,B′ ³ gS_u.a ¹ π_g, a′gS _u ^? ,Ω ¹δ_u N ₂ ⁺ :X ² gS _g ^gS +A ² π,C ² gS _u ⁺ ,B ² gS _u ⁺ CO:X¹gS⁺,a ³ π, a′³ gS_u,e ³ gS^?,d ³gD₁,A ¹π CO⁺:X²gS⁺,A ² π,B ²gS⁺ O₂:X³gS _g ^? ,B ³ gS_u,c ¹ gS _u ^? ,b ¹gS _g ^s ,a ¹ δ_g,c ³ δ_u O ₂ ⁺ :X ²π_g,A ² π_g, a¹ π_g,b ⁴ gS _g ^? A program for numerically integrating the radial Schrödinger equation by the Cooley method is worked out. Certain additional units are introduced to conserve computer time. The resulting vibrational levels are compared with the experimental levels for all the electronic states studied. It is concluded on the basis of this analysis that it is not possible to describe equally well all the electronic states of various molecules on the basis of any single three-parameter potential function. A method for choosing a potential function for describing some particular electronic state of a diatomic molecule is proposed.     

Optical absorption spectra and energy levels of Er3+ ions in glassy lithium tetraborate matrix

The optical absorption spectra of Er:Li₂B₄O₇ glasses are studied in the range 200–800 nm. The lines corresponding to the direct f-f parity-forbidden intraconfigurational transitions from the ground ⁴ I _15/2 state to the levels of the excited ⁴ F _9/2, ⁴ S _3/2, ² H _9/2, ² H _11/2, ⁴ F _7/2, ⁴ F _5/2, ⁴ F _3/2, ² H _9/2, ⁴ G _11/2, ⁴ D _3/2, ⁴ D _1/2, and ² D _3/2 states are found.     

Selective effects of homogeneous and heterogeneous reactions in the system N21-CO

In the system N₂¹-CO, effects arising only from the reactions in the homogeneous phase have been isolated in a reactor with inert walls. After an induction period of 0.13 s, they involve a stationary rate of enhancement of N₂(B³Π_g) and N(⁴S) concentrations according to the reactions N₂(X¹Σ_g⁺)_v¹+CO→ CO(X¹Σ⁺)_v1 + N₂(X¹Σ_g⁺ and CO(X¹Σ⁺)_v1 + N₂(A³Σ_u⁺) → N (⁴S) + N(⁴S) + CO(X¹Σ⁺).In a reactor with active walls, both the above reactions in the homogeneous phase and heterogeneous reactions due to CO adsorbed on the walls are involved according to CO_ads + N₂(X¹Σ_g⁺)_{v1 ads or not} → CO(X¹Σ⁺)_v1 + N₂(X¹Σ_g⁺ and N(⁴S) + N(⁴S) + CO_ads → N₂(X¹Σ_g⁺) + CO(X¹Σ⁺)N(⁴S) + CO_ads → N₂(X¹Σ_g⁺) + CO(X¹Σ⁺). In this case, the rate of enhancement is not stationary. Furthermore, for cylindrical reactors with large diameters, the two types of reaction do not interact and their effects are additive.     

Hyperfine structure measurements in the ground states5 F 5,5 F 4,5 F 3 and5F2 of99Ru and101Ru with the atomic beam magnetic resonance method

The hyperfine structure of the four lowest levels⁵ F _{5, 4, 3, 2} of the⁵ F ground state multiplet arising from the configuration 4d ⁷ 5s in⁹⁹Ru and¹⁰¹Ru has been studied by the atomic — beam magnetic — resonance technique. After applying corrections due to the effects of off-diagonal hyperfine mixing we obtain the following multipole interaction constants:⁹⁹Ru:A(⁵ F ₅)=?204.5514(33) MHzB(⁵ F ₅)=27.281 (62) MHzA ⁵ F ₄=?163.6845(36) MHzB(⁵ F ₄)=17.455(52) MHzA ⁵ F ₃=?135.0294(37) MHzB(⁵ F ₃)=10.164(50) MHzA(⁵ F ₂)=? 82.5325(27) MHzB(⁵ F ₂)=5.457(22) MHz¹⁰¹Ru:A(⁵ F ₅)=?229.2881(33) MHzB(⁵ F ₅)=158.934(62) MHzA(⁵ F ₄)=?183.4744(36) MHzB(⁵ F ₄)=101.799(52) MHzA(⁵ F ₃)=?151.3502(38) MHzB(⁵ F ₃)=59.323(50) MHzA(⁵ F ₂)=?92.4974(27) MHzB(⁵ F ₂)=31.869(23) MHz. The magnetic dipole and the electric quadrupole moments of the⁹⁹Ru and¹⁰¹Ru nuclear ground states as calculated from these constants are the following:μ _I (⁹⁹Ru)=?0.594(119) nmQ(⁹⁹Ru)=0.077 (15) barnsμ _I (¹⁰¹Ru)=?0.666(133)nmQ(¹⁰¹Ru)=0.45 (9) barns. From measurements of the Zeeman effect in the even isotope¹⁰²Ru we find the followingg _J -factors for the⁵ F ground multiplet:g _J (⁵ F ₅)=1.397741(20)g _J (⁵ F ₄)=1.347604(20)g _J (⁵ F ₃)=1.248988(20)g _J (⁵ F ₂)=1.001120(3).     

Glass composition dependence of Eu ion red fluorescence

Eu³⁺ ion-doped B₂O₃-, SiO₂-, and P₂O₅-based glasses were prepared by the melt-quenching method, and their absorption, fluorescence, and excitation spectra were recorded and assigned. The glass composition dependence of the fluorescence was investigated to obtain the high brightness of the red fluorescence due to the ⁵D₀→⁷F₂ transition of the Eu³⁺ ion. The integrated intensity of the red fluorescence was the strongest at the Eu₂O₃ concentration of 3.5 mol% because the cross-relaxation (CR) processes, (⁵L₆→⁵D_J^′)→(⁷F_J^*←⁷F_J^#) and (⁵D_J→⁵D_J^′)→(⁷F_J^*←⁷F_J^#) (3≧J>J′≧0, 6≧J^*>J^#≧0) between the Eu³⁺ ions were promoted, but the CR processes, (⁵D₀→⁷F_J^′)→∑_m(⁷F_J^*←⁷F_J^″)_m (6≧J′≧0, 6≧J^*>J^″≧0), between the excited Eu³⁺ ion at the ⁵D₀ level and m ions of Eu³⁺ in the ⁷F_J^″ levels were depressed. The former CR processes, (⁵L₆→⁵D_J^′)→(⁷F_J^*←⁷F_J^#) and (⁵D_J→⁵D_J^′)→(⁷F_J^*←⁷F_J^#) were enhanced in the host glasses consisted of the cations with small ionic radius. In this study, a 70B₂O₃-30CaO-3.5Eu₂O₃ glass showed the strongest red fluorescence.     

Nonfactorization and the decaysD s +→φπ +,φρ + andφl + ν l

Using the experimentally measured values ofx=A ₂(0)/A ₁(0) andy=V(0)/A ₁(0) and the measured ratiosR _st=Γ(D _s ⁺ →φl ⁺ ν _l)/Γ(D _ins ⁺ →φπ ⁺) andR _h=Γ(D _s ⁺ →φρ ⁺)/Γ(D _s ⁺ →φπ ⁺), we present evidence for significant nonfactorization contribution in the decay amplitude forD _s ⁺ →φπ ⁺. We analyze the role of nonfactorization inD _s ⁺ →φρ ⁺ and conclude that present data onR _h are consistent with factorization inD _s ⁺ →φρ ⁺. A measurement of polarization inD _s ⁺ →φρ ⁺ would greatly assist our analysis.     

Elastic,piezoelectric and dielectric properties of ZnO and CdS single crystals in a wide range of temperatures

A complete set of elastic, piezoelectric and dielectric constants of ZnO and CdS at room temperature was determined by the method of resonance-antiresonance. Elastic constants s^E₁₁, s^E₁₂, s^E₅₅, c^D₃₃, c^D₅₅, coefficients of electromechanical couplingk₃₁, k₁₅, k_t and dielectric constants ε^T₁₁, ε^T₃₃ of ZnO single crystals were determined in the temperature range 4.2–800 K. Elastic constants s^E₁₁, s^E₁₂, s^D₃₃, s^E₅₅, s^D₃₃, s^D₅₅, coefficients of electromechanical coupling k₃₁, k₃₃, k₁₅, k_t and dielectric constants ε^T₁₁, ε^T₃₃ of CdS single crystals were determined in the temperature range 4.2–300 K.     

Perturbation Facilitated Optical-Optical Double Resonance spectroscopy of the 6Li233Σg+, 23Πg, 13Δg,b3Πu,and a3Σu+ states

The technique, Perturbation Facilitated Optical-Optical Double Resonance, has provided spectroscopic access to and molecular constants for the 3³Σ_g⁺ (v = 1–9), 2³Π_g (v = 0–24), 1³Δ_g (v = 3–14), b³Π_u (v = 0–17), and a³Σ_u⁺ (v = 0–6) states of the ⁶Li₂ molecule. Perturbation Facilitated Optical-Optical Double Resonance takes advantage of two weak spin-orbit perturbations, A¹Σ_u⁺ (v = 2, J = 33) ∼ b³Π_u (v = 9, F₁, N = 32) and A¹Σ_u⁺ (v = 9, J = 20) ∼ b³Π_u (v = 15, F₁, N = 19), to excite from X¹Σ_g⁺ (v = 0 or 1) into single rotation-vibration levels of ³Λ_u (F₁ fine structure component only) via the spin-mixed intermediate levels. The ³Λ_u (F₁ only) states are sampled in resolved fluorescence spectra from Perturbation Facilitated Optical-Optical Double Resonance-populated ³Λ_g levels.     

Carrier concentration dependence and temperature dependence of mobility in silicon (100) N-channel inversion layers at low temperatures

The carrier concentration (N_s) dependence of electron mobility in Si (100) inversion layers has been measured at temperatures T = 1.5?70K for high- and low-mobility MOSFETs. An extrinsic term is observed in the T-dependent part of the scattering probability, τ^?1_T. At T = 4.4 K, τ^?1_T depends on N_s as N^?1.9_s in low mobility samples. In high-mobility samples, τ^?1_T increases with increasing N_s in high N_s region while τ^?1_T ∝ N^?1.6_s in low N_s region. The N_s-dependence of τ^?1_T becomes weaker with increasing T in both of low- and high-mobility samples. At N_s = 3 × 10¹² cm^?2, τ^?1_T depends on T as T^1.8 in low-mobility samples and τ^?1_T ∝ T^2.0 in high- mobility samples at T 5 K.     

Atomic beam magnetic resonance investigations in the 2p 2 3 P ground multiplet of the stable carbon isotopes12C and13C

The hyperfine structure seperations Δv andg _J -factors have been measured in the 2p ^{2 3} P states of¹³C(I=1/2) and¹²C(I=0), respectively, using the atomic beam magnetic resonance method. The results are Δv(³ P ₁,¹³C)=4.200 (25) MHz, Δv(³ P ₂,¹³C)=372.593 (25) MHz,g _J (³ P ₁,¹²C)=1.501052 (13), andg _J (³ P ₂,¹²C)=1.501039 (15). After applying corrections due to perturbations by neighbouring fine structure levels one deduces the constants of the magnetic dipole interactionA(³ P ₁,¹³C)=+2.838 (17) MHz, A(³ P ₂,¹³C)=+149.055 (10) MHz. No signs of theA-factors were determined by the experiment; they follow from the known positive sign of the nuclear magnetic moment μ _I of¹³C. CombiningA(³ P ₂,¹³C) with the results of other measurements on¹¹C, yields μ _I (¹¹C)=?0.964 (1) nm.     

Theoretical electronic transition moments for the Ballik-Ramsay,Fox-Herzberg,and Swan systems OF C2

Potential energy curves and spectroscopic constants T_e, r_e, ω_e, and ω_eχ_e have been calculated for the a³Π_u, b³Σ^-_g, d³Π_g and e³Π_g electronic states of C₂ using self-consistent-field plus configuration-interaction techniques. These results are in excellent agreement with those obtained from experiments. The variation of the electronic transition moment with internuclear separation has been calculated for the Ballik-Ramsay system (b³Σ^-_g-a³Π_u), Fox-Herzberg (e³Π_g-a³Π_u), and Swan (d³Π_g-a³Π_u) band systems. These results are in good agreement with existing experimental and theoretical data.     

Observation of the c3Πu-X1Σg+ intersystem transition in the absorption spectrum of P2

The observation of the c³Π_u-X¹Σ_g⁺ intersystem transition of P₂ is reported. The 6-0 band of the system was identified on high resolution absorption plates teken on the NRC 10-m vacuum spectrograph at Ottawa. A rotational analysis of the band is given together with that of the adjacent 5-0 band of the C¹Σ_u⁺-X¹Σ_g⁺ system, the upper level of which is involved in a mutual perturbation with the c³Π_u, v = 6 level. The interaction parameters for the perturbation are derived. It is proposed that the appearance of the 6-0 band of the c³Π_u-X¹Σ_g⁺ transition is due to intensity borrowing from the strong, allowed C¹Σ_u⁺-X¹Σ_g⁺ system. Accurate values for the energies of the c³Π_u, b³Π_g, and a³Σ_u⁺ states relative to the ground state are given. The analysis of two other bands, 2-0 and 7-0, of the C¹Σ_u⁺-X¹Σ_g⁺ system whose upper levels likewise interact strongly with the c³Π_u state are also given.     

Measurements of theg J -factors of12C in the3 P 1 and3 P 2 states

Using the atomic beam magnetic resonance method the Zeeman interactions of¹²C in the³ P ₁ and³ P ₂ states at magnetic fields of about 3.4 kOe have been measured. The measured quantities areg _J (³ P ₁)?g_J(³ P ₂)=15.4(1.0)·10^?6 g _J (³ P ₂)=1.5010616 (50), from which the following value for g_J(³P₁) can be calculated:g _J (³ P ₁)=1.5010770 (50). The experimental results are in moderate agreement with theoretical calculations.     

The aΔg→XΣg magnetic dipole transition of S2

Emission spectra of the 0-0 band of the a¹Δ_g→X³Σ⁻_g magnetic dipole transition of S₂ have been observed in the near-infrared spectral region near 4400 cm⁻¹. The S₂ molecules were generated in a fast-flow system by passing S_x or S₂Cl₂ vapor in Ar carrier gas through a microwave discharge and were excited by electronic-to-electronic energy transfer from metastable singlet oxygen O₂(a¹Δ_g). Medium-resolution spectra of the b¹Σ⁺_g→X³Σ⁻_g and a¹Δ_g→X³Σ⁻_g transitions of S₂ were measured with a Fourier-transform spectrometer. By comparing the bandshape of the 0-0 band of the a→X system with a computer simulation calculated with literature data of the rotational constants of the X and a states, the origin of the 0-0 band was determined to be ν₀=4394.25±0.2 cm⁻¹.     

Vibrational study of layered ZnPS3 compounds intercalated with [Co(η5 -C5H5)2+] and [Cr(η6 -C6H6)2+] CATIONS

Infrared and Raman spectra (10–3100 cm^?1) of the layered ZnPSs compound and of intercalates with [Co(η⁵ ? C₅H₅)₂⁺] and [Cr(η⁶ ? C₆H₆)₂⁺] cations in the polycrystalline state have been recorded 300–10 K temperature range. A complete assignment of the spectra is proposed in terms of PSs group motions, Zn²⁺ ion translations and [Co(η⁵ ? C₅H₅)₂⁺] or [Cr(η⁶ ? C₆H₆)₂⁺] internal vibrations. New low frequency for the [Co(η⁵-C₅H₅)₂⁺] intercalate at low temperature are assigned to librational and torsional modes of C₅H₅ rings. Moreover, the preresonance Raman spectra of this intercalate show a selective enhancement for the metal-ligand vibrations when the charge transfer band of the cobalticenium is approached. One concludes that guest molecules are intercalated under their cationic form, are weakly interacting with the host lattice and seem to be dynamically disordered at room temperature.     

Vibration-rotation spectra of CH3CN: The ν7 band and its hot bands near 1040 cm−1

Infrared spectra of CH₃CN were measured in the range 170–600 cm^?1 with a Fourier transform spectrometer (0.06 cm^?1 resolution) and several small portions in the range 1020–1065 cm^?1 with a tunable Pb_1?xSn_xTe diode laser spectrometer (0.001 cm^?1 resolution). The ν₇ band was analyzed by taking account of local Fermi resonance with 3ν₈¹, and the following parameters were determined: ν₇ = 1041.8446(15) cm^?1; 3ν₈¹ =1077.88(5) cm^?1; and ∥k₇₈₈₈∥ = 1.98(1) cm^?1. Two hot bands in the ν₇ band region, i.e., (ν₇ + ν₈)² ? ν₈¹ and ν₆¹ ? ν₈¹, were also analyzed, and ν₈ = 365.05(5) cm^?1 and ζ₈ = 0.874(1) were determined by use of the observed transitions of the ν₇ + ν₈ and ν₆ bands.     

Mid-infrared emissions from Ho3+ in Ga2S3-GeS2-Sb2S3 glass

Emission properties were investigated in the infrared region for Ga₂S₃-GeS₂-Sb₂S₃ glasses doped with Ho³⁺. We performed Judd–Ofelt analysis and lifetime measurements of the ⁵I₄, ⁵I₅, and ⁵I₆ levels, which are the initial levels of the mid-infrared emissions between 3 to 5 μm of Ho³⁺. The quantum efficiencies reached approximately 18%, 64%, and ～100% for the ⁵I₄, ⁵I₅, and ⁵I₆, respectively. Population analyses were carried out from the relative intensities of the emissions in the near-infrared region. We investigated the dependences on the Ho³⁺ ion concentration of the population ratio of the initial levels to the final levels, [initial]/[final], of the mid-infrared emissions. The population ratio of [⁵I₅]/[⁵I₆] decreased with increase of the Ho³⁺ concentration while those of [⁵I₄]/[⁵I₅] and [⁵I₆]/[⁵I₇] increased. Particularly, the former, [⁵I₄]/[⁵I₅], rapidly increased because of the strong concentration quenching of the ⁵I₅ level through cross relaxation. It was found that the population inversion for the 4.8 μm emission due to the transition, ⁵I₄→⁵I₅, was achieved at high Ho³⁺ concentration in the present experiments.