Data compilations, reference

The data compiled refer only to binary systems, concentrated solutions. 

Fluorine thermochemistry itself has not been previously reviewed, but has tended to be included in more general reviews and reports, or in data compilations (141,123,151). The most comprehensive literature survey, covering the years 1949-1961 (9), supplements the N.B.S Circular and Notes (203). (N.B.S. Technical Notes 270-3 to 270-7 issued from 1969-1973 were unfortunately published without literature references.) Subsequent work was conveniently traced from annual issues of the Bulletin of Chemical Thermodynamics, and from 1977 to 1979 (May) by accessing the Chemical Abstracts data files. Experimental aspects of fluorine thermochemistry are included in two rather dated volumes (214), and only general detail will be given in this review. 

It must be stressed that the temperature is not included in the definition of standard state. Nevertheless, all modern thermochemical databases list the values at 298.15 K, so this is now regarded as a reference temperature. As shown in appendix B, very few data compilations give values at any other temperature. 

The Deutsche Gesellschaft fur Chemisches publishes a series of data compilations under the DECHEMA series. It is intended primarily for engineering applications. Reference (50) cites... 

NIST Standard Reference Data Base 40 NDRL/NIST Solution Kinetic Database, Version 2.0. Data compiled and evaluated by A. B. Ross, B. H. J. Bielski, G. V. Buxton, D. E. Cabeli, C. L. Greenstock, W. P. Helman, R. E. Huie, J. Grodkawski, and P. Neta. Database developed by W. G. Mallard, A. B. Moss, and W. P. Helman (1994). 

DIPPR, Project 801, Data Compilation (July 1990) and earlier references cited therein R D. Goodwin, NBSIR 79-1621, Thermophysical Properties Division, National Engineering Laboratory, National Bureau of Standards, Boulder, Colo. 1979 G. B. Kistiakowsky, J. R. Ruhoff, H. A. Smith,... 

A limitation of printed databases is that they may become outdated once published, they are unable to incorporate new information on kinetic parameters. The combustion specific databases listed above were published in the period 1973 to 1994 the most recent [23] covers the literature through 1992. This implies that data on combustion related reactions published since 1992 are not considered in these evaluations, and for a number of significant reactions the recommendations may be misleading. This deficiency of printed databases is to some extent overcome by the electronic database [256] offered by National Institute of Standards and Technology (NIST). The NIST database,1 which is regularly updated, also references most of the expert evaluations listed above. The drawback of using these kinds of data compilations is that the user may have to perform some data evaluation, that is, choose between data from various sources. 

The two latter values are much below the value of 2 x 10-3 mol dm-3 day-1 calculated on the basis of salicylate data (Coudray et al. 1995) and the cellular scavenging capacity discussed above. This raises the question whether the salicylate assay can be taken as a reliable in vivo probe. It has been discussed above that 2,5-dihydroxybenzoate is also formed enzymatically and that this product cannot be used for monitoring OH production. For this reason, reference has always been made only to the other isomer, 2,3-dihydroxybenzoate. However, the question has already been raised whether there are unknown cellular reactions (besides via OH) which produce this isomer (Halliwell and Grootveld 1987). Evidence that this may indeed be the case comes from data compiled in Table 3.8. Here, salicylate (or aspirin) has been given to either a rat or a human,... 

The concentrations of DOC in major rivers typically range from 250 to 750 pM, and concentrations in the surface ocean range from 60 to 90 J.M (Table I). Most of the river data compiled in Table I are from the Amazon River system (Hedges et al., 1994, 2000), the Parana River system (Depetris and Kempe, 1993), and the Mississippi River (Benner and Opsahl, 2001). The seawater data are from surface water samples collected in the Pacific and Atlantic Oceans (see Table I for references). Total hydrolyzable neutral sugars (glucose, galactose, mannose, xylose, fucose, rhamnose, and arabinose) account for about 1-2% of river DOC and 2-6% of ocean DOC, indicating... 

After the appendices we provide a selected bibliography of general references and data compilations. All cited references appear in the list of general references. 

A bibliography is given after the appendices. The first section lists those books to which reference is made in the text and a few of the more recent and relevant advanced texts in chemical thermodynamics. The other sections give references to data compilations and sources. An abbreviated set of thermodynamic data are given in the appendices for quick reference. 

No specific study or data compilation of the mass spectra of diazabiphenylenes is available. Experimental figures for individual isomers are given in the references quoted in Table 1. The main peaks in the spectra correspond to loss of HCN and CH CH. The El spectrum of 4,5-diazafluoren-9-one <75JHC1023> and 9-methyl-4,5-diazafluoren-9-ol <78ZN(B)80> have been discussed in detail. 

We asked the authors of the chapters to begin from ground zero and provide for you a minitutorial on how to implement various computational methods to solve problems. Rather than create a traditional review article, that is, a compilation of data and references that sits in a library, we want you to be able to use this series to learn how to solve problems using computational methods and to be able to locate key references quickly. These chapters are not meant to be surrogate textbooks nor can they replace the original published papers however, they are meant to be of interest to both experts and novices. 

Table 3.5. Minimum and maximum values of contact angle measured for some pure metals on alumina. Results come from data compilations given in references.

The thermochemical data used in the text are listed in the following tables. The standard heats of formation given in Table A have, for the most part, been taken from established compilations references to the original literature have been given for recent determinations or where some discordance exists among reported values. The value cited for CF4 conforms to the recent revision in the heat of formation of HF. 

NIST also maintains a website called the NIST Chemistry WebBook (http //webbook. nist.gov), which provides access to a broad array of data compiled under the Standard Reference Data Program. This site allows a search for thermochemical data for more than 7000 organic and small inorganic compounds, reaction thermochemistry data for over 8000 reactions, IR spectra for over 16,000 compounds, mass spectra for over 15,000 compounds, UV/VIS spectra for over 1600 compounds, electronic and vibrational spectra for over 5000 compounds, spectroscopic constants of over 600 diatomic molecules, ion energetics data for over 16,000 compounds, and thermophysical properties data for 74 selected fluids. The site allows general searches by formula, name, CAS registry number, author, and stracture and also a few specialized searches by properties like molar mass and vibrational energies. 

These several assumptions do not lead to the same conclusions. For example, transfer activity coefficients obtained by the tetraphenylarsonium tetraphenyl borate assumption differ in water and polar aprotic solvents by up to 3 log units from those based on the ferrocene assumption. From data compiled by Kratochvil and Yeager on limiting ionic conductivities in many organic solvents, it is clear that no reference salt can serve for a valid comparison of all solvents. For example, the tetraphenylarsonium and tetraphenyl borate ions have limiting conductivities of 55.8 and 58.3 in acetonitrile. Krishnan and Friedman concluded that the solvation enthalpy of... 

Basalt In this chapter, basalt means lavas or bulk compositions with <54 wt.% Si02- Note that we have eliminated alkaline lavas (nepheline or kalsilite normative) from the data compilation. In a few places, we use terms picrite and komatiite to refer to basaltic melts with more than 15 wt.% and 18 wt.% MgO, respectively. 

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