Index of content:
Volume 6, Issue 3, July 1977
6(1977); http://dx.doi.org/10.1063/1.555555View Description Hide Description
Phase diagram and thermodynamic data for twenty ternary copper‐silver‐X alloy systems—where X represents Al,Au,Cd,Fe,Ge,In,Mg,Mn,Ni,P,Pb,Pd,Re,S,Sb,Se,Sn,Te,Ti or Zn—were compiled and critically evaluated. Of the twenty ternary systems, thermodynamic data are available for only the seven systems containing Au,Pb,Pd,S,Sn,Te and Zn. The high‐temperature phase relationships in the iron‐rich region of the Cu‐Fe binary system were also evaluated and a recommended phase diagram is presented.
6(1977); http://dx.doi.org/10.1063/1.555556View Description Hide Description
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 C r y s t a l D a t a D e t e r m i n a t i v e T a b l e s. The space groups are listed in the same order and orientation as in I n t e r n a t i o n a l T a b l e s f o r x‐r a y C r y s t a l l o g r a p h y. 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.
6(1977); http://dx.doi.org/10.1063/1.555557View Description Hide Description
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 S 1/2 and P 1/2 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 contributions are discussed in detail. All known measurements of Lamb shifts and other fine structure differences are compared with calculated values.
6(1977); http://dx.doi.org/10.1063/1.555558View Description Hide Description
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.
NMR spectral data: A compilation of aromatic proton chemical shifts in mono‐ and di‐substituted benzenes6(1977); http://dx.doi.org/10.1063/1.555559View Description Hide Description
NMRchemical 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.
6(1977); http://dx.doi.org/10.1063/1.555560View Description Hide Description
The compilations of fundamental vibrational frequencies of molecules previously published as Tables of Molecular Vibrational Frequencies Part 5, Part 6, Part 7, and Part 8, which appeared in the Journal of Physical and Chemical Reference Data in 1972, 1973, and 1974, have been revised. This Consolidated Volume II includes data on a total of 212 molecules in addition to those on 223 molecules included in Volume 1 (NSRDS‐NBS 39). Selected values of the fundamental vibrational frequencies are given for each molecule, together with observed infrared and Raman spectral data and citations to the original literature. The selection of vibrational fundamentals has been based on careful studies of the spectral data and comprehensive normal‐coordinate analyses. An estimate of the accuracy of the selected values is included. The tables provide a convenient source of information for those who require vibrational energy levels and related properties in molecular spectroscopy, thermodynamics, analytical chemistry, and other fields of physics and chemistry.