Improved calculation of field isotope shift constants for optical spectral lines

Following the approach of previous investigations improved formulae for the field isotope shift constantC _unif of optical spectral lines have been derived assuming a uniform nuclear charge distribution. From these formulaeC _unif may be evaluated forselectrons with an accuracy of better than 1%. After considering the effect of the different normalization procedures the results obtained by different methods of approach are in good agreement.     

Isotopieverschiebungskonstanten von Th,U, Pu und Am

The isotope shifts of unperturbed electron configurations have been determined from isotope shift measurements in the spectra of Th, U, Pu, and Am. The screening of the 7s electron charge density at the nucleus by 6d, 7s, and 7p electrons is discussed. It turns out that the same screening factors as for the 6s electron in lighter elements can be used. The screening of the 7s electron charge density at the nucleus by one 5f electron amounts to about 25%: [δT(f ⁿ s)?δT(f ⁿ )]/[δT(f ⁿ }s)?δ(f ^n} )]=0.7₅. The charge density at the nucleus due to the filleds (andp _1/2) shells is considerabely screened by anf electron. The isotope shiftδT(f^n}-1 d ^m +2)?δT(f ⁿ d ^m ) produced by this effect is of the same order of magnitude as the isotope shiftδT(f ⁿ d ^m s)-δT(f ⁿ d ^m ) due to ans electron. The experimental isotope shift constants are found to be:Β C _exp(Th²³⁰–Th²³²)=880±120;Β C _exp(U²³³–U²³⁵)=1000±180;Β C _exp(U²³⁴–U²³⁶)=1070±200;Β C _exp(U²³⁶–U²³⁸)=1080±180;Β C _exp(Pu²³⁸–Pu²⁴⁰)=1200±120;Β C _exp(Pu²³⁹–Pu²⁴¹)=1060±100;Β C _exp(Pu²⁴⁰–Pu242)=900 ±90;Β C _exp(Am²⁴¹–Am²⁴³)=890±50 [10^?3cm^?1]. The ratiosΒ C _exp/C _th are discussed.     

TEA CO2 laser induced breakdown versus selective photochemistry in C2F5H and C2F5H/C2F5T mixtures

In the context of laser separation of tritium isotope using C₂F₅T in mixtures with C₂F₅H, we have studied the laser induced dielectric breakdown (LIDB) as a function of the system pressure using 10.6 μm radiation of a TEA CO₂ laser. By taking also into account our isotope selective results, we have found that LIDB does not imply difficulties by affecting the laser selective process. Analysis of the experimental results shows that LIDB works by cascade ionization and the recombination constitutes the major loss process. The LIDB threshold fluence Φ_th for the tritiated mixture was found to be lower than the corresponding value in pure C₂F₅H indicating preionization in the medium due to β emission of tritium.     

Dielectric properties of CsH2PO4 and CsD2PO4

Orthorhombic CsH₂PO₄ undergoes a ferroelectric transition at T_c = ?119.5°C, whereas the ferroelectric transition temperature in isomorphous CsD₂PO₄ is T_c = ?5.55°C. The transitions are of first order in both cases. The rather large isotope effect demonstrates the importance of the OHO bonds in the transition mechanism.     

Isotope shift measurements in the atomic spectrum of lanthanum (LaI)

Using the reactor-produced lanthanum isotope ₅₇ ¹³⁷ La, the highly enriched rare ₅₇ ¹³⁸ La and the stable ₅₇ ¹³⁹ La, the isotope shift has been measured in five lines of the La I-spectrum with the aid of a pressure-scanned Fabry-Pérot interferometer. The isotope shift data obtained show surprisingly large specific mass effects, arising from configuration mixing of levels with a 4f electron involved. The changes in mean square charge radiusδ〈r ²〉 of these nuclei extracted from the experimental isotope shift constants C_exp are compared with the corresponding values for the isotonic barium nuclei, where similar anomalies in the isotope shifts occur.     

Superconducting state parameters of Cu C Zr100−C metallic glasses

The theoretical investigation of the superconducting state parameters (SSP) viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature T _c, isotope effect exponent α and effective interaction strength N ₀ V of ten Cu _C Zr_100?C metallic glasses have been reported using Ashcroft’s empty core (EMC) model potential. Three local field correction functions proposed by Hartree (H), Taylor (T) and Ichimaru-Utsumi (IU) are used in the current investigation to study the screening influence on the aforesaid properties. It is observed that the electron-phonon coupling strength λ and the transition temperature T _C are quite sensitive to the selection of the local field correction functions, whereas the Coulomb pseudopotential μ*, isotope effect exponent α and effective interaction strength N ₀ V show weak dependences on local field correction functions. The T _c obtained from IU-local field correction function are found an excellent agreement with available theoretical or experimental data. Also, the present results are found in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in metallic glasses.     

Heterodyne measurements of 12C18O, 13C16O,and 13C18 O laser frequencies; mass dependence of Dunham coefficients

Difference frequencies between rare isotope CO lasers and a ¹²C¹⁶O laser have been measured by optical heterodyne techniques. These data for ¹²C¹⁸O, ¹³C¹⁶O, and ¹³C¹⁸O have been used together with the 15 previously reported Dunham coefficients Y_kl for ¹²C¹⁶O to determine a set of mass independent parameters Δ_kl and U_kl defined by Y_kl = μ^-(k/2+l)[1+m_e(Δ^C_kl/M_C + Δ^O_kl/M_O)] U_kl. The 01, 1 0, and 20 correction terms were found to be statistically significant. Line frequencies calculated from the resulting 15 Dunham coefficients for the rare isotopes are accurate to a few MHz in the measured laser bands.     

Screening dependence superconducting state parameters of La100−CGaC binary metallic glasses

The screening dependence theoretical investigations of the superconducting state parameters (SSP) viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ^*, transition temperature T_C, isotope effect exponent α and effective interaction strength N₀V of six binary La_100−CGa_C (C=16, 20, 22, 24, 26 and 28 at.%) metallic glasses have been reported using Ashcroft's empty core (EMC) model potential for the first time. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used in the present investigation to study the screening influence on the aforesaid properties. The T_C obtained from H-local field correction function is found in qualitative agreement with available experimental data and show almost linear nature with the concentration (C) of ‘Ga’ element. A linear T_C equation is proposed by fitting the present outcomes for H-local field correction function, which is in conformity with other results for the experimental data. Also, the present results are found in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in the metallic glasses.     

Isotope effect in (La-Pr-Ca)MnO3 manganites

An explanation of the “giant” oxygen isotope effect is suggested for the Curie temperature T _C of the (La_0.75Pr_0.25)_0.7Ca_0.3MnO₃ compound. The model takes into account the proximity of the ferromagnetic transition to the dielectric antiferromagnetic phase. To explain the experimental data, it is sufficient to include a weak electron-phonon interaction for free charge carriers.     

A pseudopotential approach to the superconducting state properties of Cu<Subscript>C</Subscript>Zr<Subscript>100-C</Subscript> binary metallic glasses

The theoretical investigation of the superconducting state properties viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature T _C, isotope effect exponent α and effective interaction strength N ₀ V of ten binary Cu_CZr_100-C (C = 25–60 at%) metallic glasses is performed, using Ashcroft’s empty core model potential. Five local-field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used to study the screening influence on the aforesaid properties. It is shown that the electronphonon coupling strength λ and the transition temperature T _C are quite sensitive to the selection of the local-field correction functions, whereas the Coulomb pseudopotential μ*, isotope effect exponent α and effective interaction strength N ₀ V show a weak dependence on the local-field correction functions. The values of T _C obtained from the H-local-field correction function are found to be in qualitative agreement with available theoretical or experimental data and show almost linear behavior with respect to the concentration C of Cu. The present results are shown to be in good agreement with other available theoretical or experimental data. The obtained results confirm the existence of the superconducting phase in the metallic glasses.     

Oxygen isotope effect in high-T C superconductors: Cu nuclear quadrupole resonance relaxation rates

A scaling relationship has been observed between the⁶³Cu(2) spin-lattice relaxation rates 1/T ₁,(18) and 1/T ₁(16) observed in¹⁸O- and¹⁶O-exchanged YBa₂Cu₄O₈ and the normalized temperatureT/T _c(18 or 16). This relation implies thatT _C is decreased by the change in antiferromagnetic (AF) spin fluctuation rate. Thus oxygen isotope effect observed in high-T _C superconductors does not indicate any importance of electron-phonon interaction but it appears to originate from the change in AF fluctuations.     

Theoretical study of superconducting state parameters of binary metallic glasses by a pseudopotential method

The theoretical investigations of the superconducting state parameters (SSP) viz. electron–phonon coupling strength λ, Coulomb pseudopotential μ¹, transition temperature T_C, isotope effect exponent α and effective interaction strength N₀V of binary metallic glasses have been reported using Ashcroft’s empty core (EMC) model potential for the first time. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru–Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used in the present investigation to study the screening influence on the aforesaid properties. It is observed that λ and T_C are quite sensitive to the selection of the local field correction functions in comparisons with μ¹, α and N₀V. The T_C obtained from H-local field correction function is found in qualitative agreement with available experimental data and show linear nature with the concentration (C). A linear T_C equation is proposed by fitting the present outcomes for H-local field correction function, which is in conformity with other results for the experimental data. Also, the present results are found in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in the metallic glasses.     

Isotope effect in the linewidth distribution of single-molecule spectra in doped toluene at 2 K

The low-temperature dynamics of two different varieties of a low-molecular glass—protonated toluene (C₆H₅CH₃) and perdeuterated toluene (C₆D₅CD₃)—weakly doped with tetra-tert-butylterrylene (TBT) molecules was investigated with single-molecule spectroscopy. In both glassy matrices the distributions of the spectral widths were measured for a large number of single TBT molecules at T=2 K. The marked shift of the distribution upon deuteration of matrix was observed and attributed to an isotope effect which is qualitatively analyzed. It was found that at this temperature the tunneling dynamics of the matrix dominates the broadening behavior and hydrogen/deuterium atoms are involved in the tunneling motions.     

Isotope shift studies in the spectrum of boron monosulphide

The spectrum of boron monosulphide has been excited in microwave discharge and photographed at moderate dispersion. TheC ²Π _r ?X ²Σ⁺,B ²Σ⁺?A ²Π _i andA ²Π _i ?X ²Σ⁺ band systems extending from 2100–9000 Å have been obtained for B³²S and B³⁴S species. Isotope shifts for all these band systems have been measured. Comparison of the observed isotope shifts with the theoretically calculated isotope shifts confirms the emitter as well as the vibrational assignments of all these band systems.     

Isotope shifts in Hf I spectrum and deformation of even nuclei of hafnium isotopes

Isotope shifts (IS) were studied on more than 50 spectral lines of even hafnium isotopes by means of a high resolution photoelectric Fabry-Perot spectrometer. Experimental IS constantsC _exp were calculated from the values measured. The interpretation of the results on the basis of the isotope effect theory in the spectra of atoms with deformed nuclei made possible the determination of the intrinsic nuclear quadrupole moment of¹⁷⁴Hf:Q ₀(¹⁷⁴Hf)=(7.60±0.27) barn.     

Structures and isotope effects of fullerene hydrides

A summary account is given of various aspects of the structure and spin density distribution for the different isotopomers of C₆₀X (X=H, Mu) and for the different isomers of C₇₀Mu. The rigidity of the C₆₀X structure is exploited in describing the origin of the zero point hyperfine isotope effect.Ab initio Hartree-Fock calculations suggest that the deformation to the C₆₀ cage is highly localised and emphasizes the alkene nature of C₆₀. Addition of muonium to C₇₀ results in 5 possible structures for C₇₀MU, 3 with alkene and 2 with arene character.     

On the composition-dependent isotope effect of HTSC in the two-band model

The oxygen isotope effect in high-T_C superconductors has been investigated on the basis of a two-band model where superconducting phase transition is induced by interband (mainly Coulombic) interaction. The isotope shift of T_C appears due to the dependence of averaged interband electronphonon coupling constant on oxygen mass. This coupling has a repulsive nature and gives a relatively small contribution to the total interaction inducing superconductivity. The calculated isotope effect exponent depending on the carrier concentration has been compared with the experimental one as a function of x for La_2-xSr_xCuO₄.     

Discovery of multiple bands of isotopic CO2 in the prime spectral regions used when searching for CH4 and HDO on Mars

We present new measurements of vibrational band systems of isotopic carbon dioxide (CO₂) with multiple strong lines in the wavelength region 3.3-3.7 μm. In our ground-based searches for methane (CH₄) and other biomarker gases on Mars, we discovered two new vibrational band systems that we identify as the previously unknown ν₂+ν₃ band of ¹⁶O¹²C¹⁸O and the 2ν₁ band of the rare isotope ¹⁶O¹³C¹⁸O. We also extended and provide refined spectroscopic constants for the 2ν₁ band of ¹⁶O¹²C¹⁷O, detecting 38 new lines. The newly discovered 2ν₁ band of ¹⁶O¹³C¹⁸O at 3.7 μm and the 2ν₁ band of ¹⁶O¹²C¹⁷O at 3.6 μm extend over the prime spectral region used when searching for deuterated water (HDO) and formaldehyde (H₂CO) on Mars. The ν₂+ν₃ band of ¹⁶O¹²C¹⁸O at 3.3 μm interferes with the ν₃ band of CH₄ at 3.3 μm. If unrecognized, even weak bands of CO₂ can obscure searches for trace gases on Mars, so it is important to quantify them. Here, we report molecular parameters from the measured line positions that agree well with values calculated from the known energy levels of these isotopologues, and we provide absolute band strengths for each system.     

1H MAS, 13C CP/MAS, and 2H NMR spectra studies of piperidinium {\emph{p}}-chlorobenzoate

Anomalous H/D isotope effects were detected in the ¹H MAS NMR spectra of piperidinium p-chlorobenzoate (C₅H₁₀NH $_{2}{^{+}}\cdot $ ClC₆H₄COO^???) upon deuterium substitution of hydrogen atoms which form two kinds of N-H?O H-bonds in the crystal; in contrast to these spectra, only slight chemical shifts were recorded in ¹³C CP/MAS NMR spectra. ²H NMR spectrum of the deuterated sample show quadrupole coupling constants of 148 and 108 kHz, and reveal that there are a few motions contributing to the electric-field modulation of the ²H nucleus. The ¹H MAS NMR spectra of piperidinium p-chlrobenzoate-d ₁₆ (C₅D₁₀ND $_{2}{^{+}}\cdot $ ClC₆D₄COO^???) and -d ₁₄ (C₅D₁₀NH $_{2}{^{+}}\cdot $ ClC₆D₄COO^???) revealed that the change in the envelope is caused by chemical shifts of each signal upon deuteration. Calculations based on the density-functional-theory showed that the N-H distance along the crystallographic a-axis mainly contributes to the anomalous isotope effects on ¹H MAS NMR envelopes.     

Screening-dependent superconducting state parameters of transition metals-based binary alloys

Study of the screening-dependent superconducting state parameters, namely, electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature T _C , isotope effect exponent α, and effective interaction strength N ₀ V of 3d-transition metals-based binary alloys is made extensively using a model potential. A considerable influence of different exchange and correlation functions on λ and μ* is found. The obtained results are in qualitative agreement with the available experimental data wherever exist.