The IUPAC Summary of Evaluated Gas Kinetic and Photochemical Data for Atmospheric Chemistry

Information compiled by the BADC team.

Description of the data
- 1.1 Introduction
- 1.2 Data available on the Web
- 1.3 Format
- 1.4 References
Access to the data
Useful links
Contactcs

1. Description of the data

Source: Atkinson et al., 2000 [5].

1.1 Introduction

Since 1980, the IUPAC Subcommittee on Gas Kinetic Evaluation for Atmospheric Chemistry has published a series of eight evaluations (the original paper and seven supplements) in the peer-reviewed Journal of Physical and Chemical Reference Data. With the publication of the sixth evaluation [1], the data base had become so extensive that the Subcommittee decided that subsequent evaluations would be limited to dealing in turn with parts of the set of over 700 gas-phase and heterogeneous reactions. Topics covered by subsequent issues are summarised in Table 1 below.

**Table 1.**
Evaluation number	Covered topic	Reference
7	gas-phase O_x , HO_x , NO_x and SO_x reactions	[2]
8	gas-phase organic reactions	[3]
9	gas-phase halogen reactions	[4]
10	heterogeneous atmospheric reactions	In preparation

1.2 Data available on the Web

In the desire to communicate the results of the IUPAC Subcommittee recommendations to the atmospheric and kinetic research communities as rapidly as possible, the Subcommittee has set up a Summary [5] of the most up-to-date gas-phase kinetic data contained in the three most recent evaluations, i.e.

O_x , HO_x , NO_x and SO_x reactions based on data in [2];
organic reactions, including F, Cl and I atoms reactions with non halogen-containing organics, based on data in [3];
FO_x , ClO_x, BrO_x and IO_x reactions based on data in [1], [2] and [4].

Also included in the Summary [5], which is available on the Web (see Section 2), are lists of gas-phase photochemical reactions and a list of the heterogeneous atmospheric reactions which are considered by the Subcommittee in the above evaluations. However, as the nature of the data for the atmospheric photochemical and heterogeneous reactions does not lend itself to a simple summary, it is at present necessary for the user to consult the original J. Phys. Chem. Ref. Data articles for these data.

The Summary is presented in the form of a table listing the considered chemical reactions, with the values of the parameters appearing in the expression of their kinetic rate. At present, four versions of the Summary have been issued (January 1999, August 1999, March 2000 and December 2000).

1.3 Format

The successive versions of the Summary [5] are available on the Web in PDF format.

1.4 References

[1] Atkinson, R., D. L. Baulch, R. A. Cox, R. F. Hampson, Jr, J. A. Kerr, M. J. Rossi and J. Troe, Evaluated kinetic and photochemical data for atmospheric chemistry: Supplement V, J. Phys. Chem. Ref. Data, 26, 521-1011, 1997.

[2] Atkinson, R., D. L. Baulch, R. A. Cox, R. F. Hampson, Jr, J. A. Kerr, M. J. Rossi and J. Troe, Evaluated kinetic and photochemical data for atmospheric chemistry: Supplement VI, J. Phys. Chem. Ref. Data, 26, 1329-1499, 1997.

[3] Atkinson, R., D. L. Baulch, R. A. Cox, R. F. Hampson, Jr, J. A. Kerr, M. J. Rossi and J. Troe, Evaluated kinetic and photochemical data for atmospheric chemistry: Supplement VII, Organic species, J. Phys. Chem. Ref. Data, 28, 191-393, 1999.

[4] Atkinson, R., D. L. Baulch, R. A. Cox, R. F. Hampson, Jr, J. A. Kerr, M. J. Rossi and J. Troe, Evaluated kinetic and photochemical data for atmospheric chemistry: Supplement VIII, J. Phys. Chem. Ref. Data, 29, 167-266, 2000.

[5] Atkinson, R., D. L. Baulch, R. A. Cox, R. F. Hampson, Jr, J. A. Kerr, M. J. Rossi and J. Troe, Summary of Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry, Web version prepared by G. D. Carver and R. A. Cox, 2000.

2. Access to the data

The data are held at the Centre for Atmospheric Science at the University of Cambridge. They are accessible through the IUPAC Evaluated Kinetic Data home page.

Summary data can be downloaded for personal use only and must not be retransmitted or disseminated either electronically or in hardcopy without prior explicit written consent from the IUPAC Subcommittee on Gas Kinetic Data Evaluation.

3. Useful links

4. Whom to contact?

For additional information about the IUPAC Evaluated Kinetic Data Set and about copyright matters: please refer to the IUPAC Evaluated Kinetic Data home page.
To report any comment about this page: the BADC support line.

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