Showing papers in "Journal of Physical and Chemical Reference Data in 1977"
TL;DR: In this paper, a critical review and compilation of the observed and predicted spectroscopic data on the molecule N2 and its ions N2, N2−, n2−+, n 2−, N 2−+, N2++, N 2´2´−, and N2´2`− is presented, along with potential energy curves, as well as radiative lifetimes.
Abstract: This is a critical review and compilation of the observed and predicted spectroscopic data on the molecule N2 and its ions N2 −, N2 +, N2 2+, and the molecule N3. Each electronic band system is discussed in detail, and tables of band origins and heads are given. In addition to the gas phase electronic, electron and Raman spectra, there are also examined the spectra of condensed molecular nitrogen as well as the pressure‐ and field‐induced infrared and microwave absorption. Dissociation energy of N2, predissociations, and perturbations are discussed. Potential energy curves are given, as well as radiative lifetimes, f‐values, and Franck‐Condon integrals. Molecular constants are listed for the known electronic states. Electronic structure and theoretical calculations are reviewed.
1,412 citations
TL;DR: In this article, the table of precise one-electron atomic energy levels given by Garcia and Mack in 1965 is expanded to include all atomic numbers and more energy levels, updated by using more recent values of fundamental constants and radiative corrections, and extended to the maximum precision allowed by quantum electrodynamics (QED) calculations.
Abstract: The table of precise one‐electron atomic energy levels given by Garcia and Mack in 1965 is expanded to include all atomic numbers and more energy levels, updated by using more recent values of fundamental constants and radiative corrections, and extended to the maximum precision allowed by quantum electrodynamics (QED) calculations. All levels with n?11 are given for Z?15, with n?5 for Z?39, and with n?3 for Z?105. In addition, the S1/2 and P1/2 and j?n−1/2 levels with n?20 are given for Z?15, and with n?13 for Z?39. The uncertainty in the QED calculations is given for each level, and the level is given to that precision. Conversions to different units and corrections for changing the Rydberg or nuclear mass values are pointed out. The paper includes a comprehensive listing and brief discussions of all effects considered and of the uncertainties for the calculated and neglected terms. The Fine Structure Interval (difference between the j=l±1/2 levels for given n and l) and its reduced mass and QED contrib...
293 citations
TL;DR: The elastic constants of zinc are compiled and reviewed in this paper, where one hundred references are cited; the included elastic constants are: Young's modulus, shear modulus and bulk modulus.
Abstract: The elastic constants of zinc are compiled and reviewed; one hundred references are cited. The included elastic constants are: Young’s modulus, shear modulus, bulk modulus, compressibility, Poisson’s ratio, second‐order single‐crystal elastic stiffness and compliances, and third‐order, elastic stiffness. Temperature and elastic‐anisotropy effects are also reviewed. Other topics are: sound velocities, elastic Debye temperature, Cauchy relationships, elastic stability, pressure effects, and theoretical studies. New polycrystalline data are computed from single‐crystal data by tensor‐averaging methods.
175 citations
TL;DR: A review of measurements of the effect of temperature, pressure, isotopic composition, and dissolved atmospheric gases on the density of liquid water at temperatures to 100°C is given in this article.
Abstract: A review is made of measurements of the effect of temperature, pressure, isotopic composition, and dissolved atmospheric gases on the density of liquid water at temperatures to 100°C. The molar volume is expanded as a multiple power series in the variables, and the coefficients determined. A number of gaps become evident in our knowledge of properties that are within the capacity of current measurements. For example, there appears to be no measurement of the effect of oxygen isotopes on the compressibility. Data on the thermal expansion of D2O are strikingly inconsistent. The partial molar volumes of dissolved gases are only sketchily known. At O°C, equilibration with the oxygen, nitrogen, and argon of the atmosphere lowers the density about 3 p.p.m., while atmospheric carbon dioxide raises it about 0.3 p.p.m. Appendix I discusses the care needed to obtain various degrees of precision in practical density measurements, and the effect of isotopic uncertainties on them. Appendix II treats the representation...
169 citations
TL;DR: In this article, chemical kinetics measurements on 82 gas phase reactions of chlorine containing species are reviewed, and the recommended rate constants are given, with regard to their applicability and reliability, with respect to their methods used to obtain these data.
Abstract: Chemical kinetics measurements on 82 gas phase reactions of chlorine containing species are reviewed. Recommended rate constants are given. The principal species of interest are Cl, Cl2, ClO, Cl2O, ClOO, OClO, CINO, HCl and halo derivatives of methane and ethane. Absorption spectra are given for 21 species. In addition the chemical kinetics methods used to obtain these data are discussed with regard to their applicability and reliability.
163 citations
TL;DR: In this article, the primary thermodynamic properties of superfluid helium-4, such as specific heat and entropy, are computed from the Landau quasiparticle model, with the aid of inelastic neutron scattering data.
Abstract: Comprehensive tables of the primary thermodynamic properties of superfluid helium‐4, such as the specific heat and entropy, are presented as computed from the Landau quasiparticle model, with the aid of inelastic neutron scattering data. The neutron data are presented by continuous functions of temperature pressure, and wave number and certain excitation properties such as number density, normal and superfluid densities are calculated directly from it. A discussion of the methods used in our computations is included, and comparisons of computed and experimental results are made where applicable. Certain inadequacies of present theoretical methods to describe the thermodynamic properties are reported, and the use of an effective spectrum is introduced to offset some of these difficulties. Considerable experimental effort is also needed to improve the present situation.
162 citations
TL;DR: In this paper, a critical evaluation of the mean activity and osmotic coefficients of aqueous calcium chloride at 298.15 K is presented for the concentration range of 0 to 10 mol⋅kg−1.
Abstract: A critical evaluation of the mean activity, γ., and osmotic coefficients, γ±, and osmotic coefficients, ∮, of aqueous calcium chloride at 298.15 K is presented for the concentration range of 0 to 10 mol⋅kg−1. Osmotic coefficients were calculated from direct vapor pressure measurements, from isopiestic measurements or from freezing point depression measurements. Activity coefficients were calculated from electro‐motive force measurements of galvanic cells, both without liquid‐junction and with transference, and from diffusion data. A non‐linear least‐squares program was used to fit data from all sources using both ∮ and in γ± as a function of molality. An eight‐parameter extended Debye‐Huckel equation describes the osmotic coefficient, the mean activity coefficient, and the excess free energy as a function of molality. The scientific literature has been covered through July 1976.
106 citations
TL;DR: In this article, the energy levels of the chromium atom in all of its stages of ionization, as derived from the analyses of atomic spectra, have been completed, and the percentages for the two leading components of the calculated eigenvectors of the levels are given where available.
Abstract: The energy levels of the chromium atom in all of its stages of ionization, as derived from the analyses of atomic spectra, have been completed. In cases where only line classifications are given in the literature, level values have been derived. The percentages for the two leading components of the calculated eigenvectors of the levels are given where available. Ionization energies and g‐factors are also given.
86 citations
TL;DR: The results of the published work on the high pressure-high temperature properties of the AB-type compounds have been compiled and evaluated as mentioned in this paper, with an emphasis on the accurate characterization of the solid-solid phase boundaries and the experimental melting curves.
Abstract: The results of the published work on the high pressure‐high temperature properties of the AB‐type compounds have been compiled and evaluated. All pressure studies above the range of 1 kilobar have been included with an emphasis on the accurate characterization of the solid‐solid phase boundaries and the experimental melting curves. Whenever x‐ray diffraction data are available for the high pressure phases, they have also been reviewed. Phase diagrams are included for all compounds in which measurement of more than one point along the phase boundary was made. This review discusses a total of 87 compounds and 212 distinct high pressure‐high temperature phases.
77 citations
TL;DR: In this paper, the energy levels of the manganese atom in all of its stages of ionization, as derived from the analyses of atomic spectra, have been compiled.
Abstract: The energy levels of the manganese atom in all of its stages of ionization, as derived from the analyses of atomic spectra, have been compiled. In cases where only line classification are given in the literature, level values have been derived. The percentages for the two leading components of the calculated eigenvectors of the levels are given where available. Ionization energies and g‐values are also given.
66 citations
TL;DR: In this article, the development of our knowledge of the viscosity of water and steam over the last decade, that is over the period of intense experimental and analytic activity which separates the promulgation of the 1964 Supplementary Release on Transport Properties of the Sixth ICPS from the recently announced Release on Dynamic Viscosity of Water Substance.
Abstract: The paper traces the development of our knowledge of the viscosity of water and steam over the last decade, that is over the period of intense experimental and analytic activity which separates the promulgation of the 1964 Supplementary Release on Transport Properties of the Sixth ICPS from the recently announced Release on Dynamic Viscosity of Water Substance. As a result of this work, which was largely stimulated by the activities of the International Association for the Properties of Steam, the new internationally recognized skeleton table and the internationally recommended interpolation equations cover the wide range of pressures and temperatures of 0–100 MPa and 0–800°C.
TL;DR: In this paper, the electrical conductance, density, viscosity, and surface tension properties of bromide and iodide mixtures have been systematically collected and evaluated, and results for eighty-five binary mixtures over a range of compositions and temperatures.
Abstract: Data on the electrical conductance, density, viscosity, and surface tension of bromide mixtures and iodide mixtures have been systematically collected and evaluated. Results are given for eighty‐five binary mixtures over a range of compositions and temperatures. Values of the above properties for twenty‐three single bromide and iodide salts are also given.
TL;DR: In this paper, data for the viscosity and thermal conductivity coefficients of dense gaseous and liquid methane have been evaluated for temperatures from 95 to 500 K and for pressures up to 50 MPa (∠500 atm).
Abstract: Data for the viscosity and thermal conductivity coefficients of dense gaseous and liquid methane have been evaluated. Selected data were fitted to a function derived in our previous work and tables of values were generated for temperatures from 95 to 500 K and for pressures up to 50 MPa (∠500 atm). The uncertainties of the tabular values are estimated to be approximately 3% and 5% for the viscosity and thermal conductivity coefficients, respectively. The contribution for the thermal conductivity enhancement in the critical region is included in the tables. Care has been taken to ensure that the calculated values are consistent with reliable equation‐of‐state data and also with dilute gas transport coefficients determined previously.
TL;DR: In this paper, structural and spectroscopic data on CH3OH, CH3OD, CDOD were reviewed and the selected values were utilized to calculate the ideal gas thermodynamic properties in the temperature range of 0 to 1500 K, using the rigid-rotor and harmonic oscillator model.
Abstract: Structural and spectroscopic data on CH3OH, CH3OD, CDOD were reviewed. The selected values were utilized to calculate the ideal gas thermodynamic properties in the temperature range of 0 to 1500 K, using the rigid‐rotor and harmonic‐oscillator model. Experimental data for the standard enthalpy of formation at 298.15 K, the heat capacities, and the third‐law entropies at elevated temperatures are available only for CH3OH vapor phase where intermolecular association occurs. The agreement between the observed thermal data and our calculated values is satisfactory within the experimental uncertainties. Finally, the standard chemical thermodynamic values for ΔHf°, ΔGf°, and log Kf were generated in the temperature range of 0 to 1500 K.
TL;DR: In this paper, NMR chemical shifts for protons directly attached to mono-and di−substituted benzenes are compiled from the literature, and data for 1053 sets of data are presented.
Abstract: NMR chemical shifts for protons directly attached to mono‐ and di‐substituted benzenes are compiled from the literature. Data for 1053 sets of data are presented. The data have been examined for reliability using criteria which include high spectral quality, rigorous experimental technique, and sufficient description in assure correct interpretation of results. The data, presented in tabular form include compound name and formula, solvent employed, concentration, temperature, chemical shift, and observation frequency. Other NMR‐related data are not given. An author index is included. The data and references cover the literature to June 1976.
TL;DR: In this article, the authors presented an empirical function for the viscosity and thermal conductivity coefficients of ethane and estimated uncertainties of the tabular values are ±5% and ±8% for the two coefficients, respectively.
Abstract: Data for the viscosity and thermal conductivity coefficients of ethane have been evaluated and represented by an empirical function. Tables of values have been prepared for the range 200–500 K, for pressure to 75 MPa(?750 atm). The tables include an estimate of the anomalous contribution to the thermal conductivity in the neighborhood of the critical point. The estimated uncertainties of the tabular values are ±5% and ±8% for the viscosity and thermal conductivity coefficient, respectively.
TL;DR: In this paper, the authors present a companion publication to the International Table for x-ray Crystallography, which lists over 17,000 materials whose space groups and symmetry have been determined mainly by X-ray diffraction, and enable the user to find crystals of any specified symmetry, to locate isostructural molecules and to compare the population frequencies of the various space groups.
Abstract: Crystal Data Space‐Group Tables lists over 17,000 materials whose space groups and symmetry have been determined mainly by x‐ray diffraction. These tables comprise a companion publication to Crystal Data Determinative Tables. The space groups are listed in the same order and orientation as in International Tables for x‐ray Crystallography. Within each space group, the materials are arranged in increasing order of the ratios of the cell parameters. The space‐group tables enable the user to find crystals of any specified symmetry, to locate isostructural molecules, and to compare the population frequencies of the various space groups.