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Mar 2004

Volume 33, Issue 1, pp. 1-404


IUPAC-NIST Solubility Data Series. 79. Alkali and Alkaline Earth Metal Pseudohalides

Jiri Hála

J. Phys. Chem. Ref. Data 33, 1 (2004); http://dx.doi.org/10.1063/1.1563591 (176 pages) | Cited 3 times

Online Publication Date: 13 February 2004

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This volume presents solubility data of azides, cyanides, cyanates, and thiocyanates of alkali metals, alkaline earth metals, and ammonium. Covered are binary and ternary systems in all solvents. No solubility data have been found for some of the compounds of alkali metals, alkaline metals, and ammonium. These include beryllium and magnesium azides, lithium, rubidium cesium, ammonium, and alkaline earth cyanates and cyanides, and beryllium thiocyanate. Likewise, no solubility data seem to exist for selenocyanates of the mentioned metals and ammonium. The literature has been covered up to the middle of 2001, and there was a great effort to have the literature survey as complete as possible. The few documents which remained unavailable to the editor, and could not be included in the volume, are listed in the Appendix. For some compounds it was not possible to show the Chemical Abstracts registry numbers since these have not been assigned. For this reason, the registry number index is incomplete. © 2004 American Institute of Physics.
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64.75.-g Phase equilibria
82.60.Lf Thermodynamics of solutions

NIST Recommended Rest Frequencies for Observed Interstellar Molecular Microwave Transitions—2002 Revision

Frank J. Lovas

J. Phys. Chem. Ref. Data 33, 177 (2004); http://dx.doi.org/10.1063/1.1633275 (179 pages) | Cited 18 times

Online Publication Date: 26 February 2004

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Critically evaluated transition frequencies for the molecular transitions detected in interstellar and circumstellar clouds are presented. The tabulated transitions are recommended for reference in future astronomical observations in the microwave and millimeter wavelength regions. The transition frequencies have been selected through a critical examination and analysis of the laboratory spectral data obtained from the literature. The information tabulated includes the species identity, transition frequency, uncertainty, and quantum state labels. For convenience, representative line antenna temperatures are listed for a typical astronomical source for each transition, and the references are cited for the laboratory and astronomical literature that have been employed. © 2004 by the U.S. Secretary of Commerce on behalf of the United States. All rights reserved.
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95.85.-e Astronomical observations (additional primary heading(s) must be chosen with these entries to represent the astronomical objects and/or properties studied)
95.85.Bh Radio, microwave (>1 mm)

Revised and Updated Thermochemical Properties of the Gases Mercapto (HS), Disulfur Monoxide (S2O), Thiazyl (NS), and Thioxophosphino (PS)

Katharina Lodders

J. Phys. Chem. Ref. Data 33, 357 (2004); http://dx.doi.org/10.1063/1.1611178 (11 pages) | Cited 3 times

Online Publication Date: 3 March 2004

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Computations were done to correct erroneous data tables given in the 4th edition of the NIST-JANAF Thermochemical Tables. Updated enthalpies of formation were included to compute the thermochemical tables for four ideal gases: mercapto (HS), disulfur monoxide (S2O), thiazyl (NS), and thioxophosphino (PS). © 2004 American Institute of Physics.
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51.30.+i Thermodynamic properties, equations of state
82.60.-s Chemical thermodynamics
33.15.Mt Rotation, vibration, and vibration-rotation constants

Correlation for the Second Virial Coefficient of Water

Allan H. Harvey and Eric W. Lemmon

J. Phys. Chem. Ref. Data 33, 369 (2004); http://dx.doi.org/10.1063/1.1587731 (8 pages) | Cited 14 times

Online Publication Date: 4 March 2004

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A new correlation has been developed to represent the second virial coefficient of water (H2O) as a function of temperature. The formulation was fitted to experimental data, both for the second virial coefficient itself and for a quantity related to its first temperature derivative, at temperatures between approximately 310 and 1170 K. The high-temperature extrapolation behavior was guided by results calculated from a high-quality intermolecular pair potential. The new correlation agrees well with the experimental data deemed to be reliable, and at high temperatures is a significant improvement over the best previous formulation. © 2004 by the U.S. Secretary of Commerce on behalf of the United States. All rights reserved.
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51.30.+i Thermodynamic properties, equations of state
05.70.Ce Thermodynamic functions and equations of state
64.30.-t Equations of state of specific substances

Structure and Vibrations of Lanthanide Trihalides: An Assessment of Experimental and Theoretical Data

Attila Kovács and Rudy J. M. Konings

J. Phys. Chem. Ref. Data 33, 377 (2004); http://dx.doi.org/10.1063/1.1595651 (28 pages) | Cited 8 times

Online Publication Date: 4 March 2004

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In the present paper an assessment of experimental and theoretical data on the structure and molecular vibrations of all the LnX3 lanthanide trihalides (X = F,Cl,Br,I) is presented. Our review includes 114 references to recent advanced studies. These data facilitated the confirmation of previously suggested trends in the molecular properties of the title compounds and a reliable estimation of the data of less-studied LnX3 molecules. On the basis of the collected data, a comparative analysis of the experimental and computational results has been performed. This served to assess the capabilities of recent theoretical methods for the above molecular properties. © 2004 American Institute of Physics.
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33.20.Tp Vibrational analysis
33.15.Dj Interatomic distances and angles
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